NPASS Natural Product

Natural Product: NPC472361

Natural Product ID:	NPC472361
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C49H50O9
Standard InCHIKey:	PCZGAGIIBAOCAI-UUGOILRDSA-N
Standard InCHI:	InChI=1S/C49H50O9/c1-31-38(51)30-37-45(55-33(3)50)44-32(2)39(56-40(52)25-22-34-16-10-7-11-17-34)28-29-49(44,6)47(58-42(54)27-24-36-20-14-9-15-21-36)46(43(31)48(37,4)5)57-41(53)26-23-35-18-12-8-13-19-35/h7-27,37,39,44-47H,2,28-30H2,1,3-6H3/b25-22+,26-23+,27-24+/t37-,39-,44-,45+,46+,47-,49+/m0/s1
Canonical SMILES:	O=C(O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)C(=C([C@H]([C@@H]2OC(=O)/C=C/c2ccccc2)OC(=O)/C=C/c2ccccc2)C1(C)C)C)C)/C=C/c1ccccc1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO24820	Taxus cuspidata	Species	Taxaceae	Eukaryota		Japan		PMID[14987066]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	28	%	15711537

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC472361 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	236
0.1-0.2	890
0.2-0.3	1521
0.3-0.4	3231
0.4-0.5	5890
0.5-0.6	12000
0.6-0.7	6331
0.7-0.8	615
0.8-0.85	150
0.85-0.9	11
0.9-0.95	13
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.984	High Similarity	NPC472437
0.9462	High Similarity	NPC472371
0.9462	High Similarity	NPC472395
0.9431	High Similarity	NPC469742
0.936	High Similarity	NPC473423
0.9297	High Similarity	NPC475493
0.9286	High Similarity	NPC195224
0.9213	High Similarity	NPC225103
0.9141	High Similarity	NPC473443
0.9141	High Similarity	NPC472388
0.9113	High Similarity	NPC473749
0.907	High Similarity	NPC472418
0.9	High Similarity	NPC209851
0.9	High Similarity	NPC472394
0.8855	High Similarity	NPC471880
0.8855	High Similarity	NPC80599
0.8815	High Similarity	NPC475400
0.879	High Similarity	NPC89324
0.873	High Similarity	NPC300827
0.873	High Similarity	NPC473439
0.8667	High Similarity	NPC184109
0.8594	High Similarity	NPC12016
0.8582	High Similarity	NPC471911
0.8582	High Similarity	NPC4242
0.8527	High Similarity	NPC472373
0.8489	Intermediate Similarity	NPC177340
0.8489	Intermediate Similarity	NPC191082
0.8489	Intermediate Similarity	NPC139067
0.8489	Intermediate Similarity	NPC270498
0.8489	Intermediate Similarity	NPC147217
0.8489	Intermediate Similarity	NPC246480
0.8489	Intermediate Similarity	NPC473673
0.8489	Intermediate Similarity	NPC475429
0.8473	Intermediate Similarity	NPC190849
0.8473	Intermediate Similarity	NPC171007
0.8462	Intermediate Similarity	NPC471758
0.8456	Intermediate Similarity	NPC472372
0.8456	Intermediate Similarity	NPC472374
0.8429	Intermediate Similarity	NPC51314
0.8429	Intermediate Similarity	NPC67777
0.8406	Intermediate Similarity	NPC473109
0.8406	Intermediate Similarity	NPC473613
0.8406	Intermediate Similarity	NPC211137
0.8406	Intermediate Similarity	NPC4341
0.8406	Intermediate Similarity	NPC473081
0.8406	Intermediate Similarity	NPC200592
0.8406	Intermediate Similarity	NPC476094
0.8406	Intermediate Similarity	NPC48017
0.8406	Intermediate Similarity	NPC43241
0.8406	Intermediate Similarity	NPC473758
0.8406	Intermediate Similarity	NPC473060
0.8406	Intermediate Similarity	NPC473112
0.8406	Intermediate Similarity	NPC473085
0.8406	Intermediate Similarity	NPC184747
0.8406	Intermediate Similarity	NPC147880
0.8397	Intermediate Similarity	NPC473082
0.8397	Intermediate Similarity	NPC473110
0.8397	Intermediate Similarity	NPC473111
0.8397	Intermediate Similarity	NPC45821
0.8333	Intermediate Similarity	NPC210591
0.8333	Intermediate Similarity	NPC475652
0.8333	Intermediate Similarity	NPC214550
0.8321	Intermediate Similarity	NPC473083
0.8321	Intermediate Similarity	NPC114927
0.831	Intermediate Similarity	NPC474935
0.8298	Intermediate Similarity	NPC111466
0.8298	Intermediate Similarity	NPC80895
0.8298	Intermediate Similarity	NPC470231
0.8298	Intermediate Similarity	NPC471912
0.8273	Intermediate Similarity	NPC473440
0.8261	Intermediate Similarity	NPC283375
0.8261	Intermediate Similarity	NPC183122
0.8258	Intermediate Similarity	NPC470818
0.8252	Intermediate Similarity	NPC281717
0.8239	Intermediate Similarity	NPC301946
0.8239	Intermediate Similarity	NPC40085
0.8239	Intermediate Similarity	NPC264270
0.8239	Intermediate Similarity	NPC277053
0.8209	Intermediate Similarity	NPC93632
0.8194	Intermediate Similarity	NPC92293
0.8194	Intermediate Similarity	NPC301556
0.8194	Intermediate Similarity	NPC270590
0.8194	Intermediate Similarity	NPC266265
0.8194	Intermediate Similarity	NPC471101
0.8169	Intermediate Similarity	NPC163719
0.8169	Intermediate Similarity	NPC188865
0.8169	Intermediate Similarity	NPC472569
0.8169	Intermediate Similarity	NPC25768
0.8169	Intermediate Similarity	NPC57628
0.8169	Intermediate Similarity	NPC70716
0.8169	Intermediate Similarity	NPC95810
0.8169	Intermediate Similarity	NPC125106
0.8169	Intermediate Similarity	NPC472573
0.8169	Intermediate Similarity	NPC11685
0.8169	Intermediate Similarity	NPC476974
0.8169	Intermediate Similarity	NPC95265
0.8169	Intermediate Similarity	NPC472570
0.8156	Intermediate Similarity	NPC475135
0.8156	Intermediate Similarity	NPC34012
0.8148	Intermediate Similarity	NPC475138
0.8143	Intermediate Similarity	NPC477904
0.8143	Intermediate Similarity	NPC183270
0.8138	Intermediate Similarity	NPC254558
0.8129	Intermediate Similarity	NPC475373
0.8116	Intermediate Similarity	NPC66761
0.8116	Intermediate Similarity	NPC472577
0.8116	Intermediate Similarity	NPC17877
0.8116	Intermediate Similarity	NPC291638
0.8116	Intermediate Similarity	NPC195647
0.8112	Intermediate Similarity	NPC177940
0.8112	Intermediate Similarity	NPC473088
0.8112	Intermediate Similarity	NPC472556
0.8112	Intermediate Similarity	NPC29704
0.8112	Intermediate Similarity	NPC472575
0.8112	Intermediate Similarity	NPC472568
0.8112	Intermediate Similarity	NPC471104
0.8112	Intermediate Similarity	NPC470157
0.8112	Intermediate Similarity	NPC472572
0.8112	Intermediate Similarity	NPC200471
0.8112	Intermediate Similarity	NPC470159
0.8112	Intermediate Similarity	NPC70403
0.8112	Intermediate Similarity	NPC184817
0.8112	Intermediate Similarity	NPC473541
0.8112	Intermediate Similarity	NPC158663
0.8112	Intermediate Similarity	NPC174982
0.8112	Intermediate Similarity	NPC96903
0.8112	Intermediate Similarity	NPC476973
0.8112	Intermediate Similarity	NPC472571
0.8112	Intermediate Similarity	NPC469349
0.8112	Intermediate Similarity	NPC171525
0.811	Intermediate Similarity	NPC476476
0.8108	Intermediate Similarity	NPC217091
0.8099	Intermediate Similarity	NPC477468
0.8099	Intermediate Similarity	NPC163087
0.8095	Intermediate Similarity	NPC256142
0.8095	Intermediate Similarity	NPC304876
0.8095	Intermediate Similarity	NPC472030
0.8095	Intermediate Similarity	NPC249471
0.8095	Intermediate Similarity	NPC473414
0.8095	Intermediate Similarity	NPC472022
0.8095	Intermediate Similarity	NPC257213
0.8095	Intermediate Similarity	NPC1173
0.8095	Intermediate Similarity	NPC158333
0.8095	Intermediate Similarity	NPC242262
0.8095	Intermediate Similarity	NPC265395
0.8095	Intermediate Similarity	NPC472005
0.8095	Intermediate Similarity	NPC77719
0.8095	Intermediate Similarity	NPC237549
0.8092	Intermediate Similarity	NPC70973
0.8085	Intermediate Similarity	NPC224491
0.8054	Intermediate Similarity	NPC472393
0.8043	Intermediate Similarity	NPC474608
0.8043	Intermediate Similarity	NPC48929
0.8042	Intermediate Similarity	NPC475122
0.8042	Intermediate Similarity	NPC475759
0.8042	Intermediate Similarity	NPC470152
0.8042	Intermediate Similarity	NPC241951
0.8041	Intermediate Similarity	NPC114410
0.8041	Intermediate Similarity	NPC112523
0.8041	Intermediate Similarity	NPC228204
0.8041	Intermediate Similarity	NPC26033
0.8028	Intermediate Similarity	NPC63737
0.8028	Intermediate Similarity	NPC475513
0.8028	Intermediate Similarity	NPC473755
0.8027	Intermediate Similarity	NPC477905
0.8027	Intermediate Similarity	NPC472548
0.8015	Intermediate Similarity	NPC37641
0.8015	Intermediate Similarity	NPC147561
0.8015	Intermediate Similarity	NPC311175
0.8014	Intermediate Similarity	NPC470245
0.8014	Intermediate Similarity	NPC7095
0.8014	Intermediate Similarity	NPC473214
0.8014	Intermediate Similarity	NPC112216
0.8	Intermediate Similarity	NPC471102
0.8	Intermediate Similarity	NPC217918
0.7986	Intermediate Similarity	NPC473216
0.7986	Intermediate Similarity	NPC477893
0.7986	Intermediate Similarity	NPC473399
0.7984	Intermediate Similarity	NPC84129
0.7984	Intermediate Similarity	NPC152812
0.7959	Intermediate Similarity	NPC329657
0.7958	Intermediate Similarity	NPC16912
0.7945	Intermediate Similarity	NPC250046
0.7945	Intermediate Similarity	NPC60509
0.7945	Intermediate Similarity	NPC81698
0.7945	Intermediate Similarity	NPC473215
0.7945	Intermediate Similarity	NPC476975
0.7933	Intermediate Similarity	NPC469771
0.7931	Intermediate Similarity	NPC473602
0.7926	Intermediate Similarity	NPC473220
0.7926	Intermediate Similarity	NPC470753
0.7919	Intermediate Similarity	NPC282239
0.7919	Intermediate Similarity	NPC472549
0.7917	Intermediate Similarity	NPC38696
0.7914	Intermediate Similarity	NPC203486
0.7914	Intermediate Similarity	NPC329913
0.7907	Intermediate Similarity	NPC470820
0.7905	Intermediate Similarity	NPC327962
0.7891	Intermediate Similarity	NPC161239
0.7891	Intermediate Similarity	NPC91730

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC472361 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	245
0.1-0.2	770
0.2-0.3	1257
0.3-0.4	2774
0.4-0.5	2450
0.5-0.6	1346
0.6-0.7	297
0.7-0.8	22
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7734	Intermediate Similarity	NPD6858	Approved
0.7734	Intermediate Similarity	NPD7094	Approved
0.7603	Intermediate Similarity	NPD8166	Discontinued
0.7394	Intermediate Similarity	NPD7961	Discontinued
0.7339	Intermediate Similarity	NPD7798	Approved
0.7267	Intermediate Similarity	NPD7236	Approved
0.7254	Intermediate Similarity	NPD7008	Discontinued
0.7254	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7239	Suspended
0.7103	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD8424	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD2067	Discontinued
0.7081	Intermediate Similarity	NPD8127	Discontinued
0.7073	Intermediate Similarity	NPD7799	Discontinued
0.7069	Intermediate Similarity	NPD8485	Approved
0.703	Intermediate Similarity	NPD8470	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD8361	Approved
0.7018	Intermediate Similarity	NPD8435	Approved
0.7018	Intermediate Similarity	NPD8360	Approved
0.7006	Intermediate Similarity	NPD8368	Discontinued
0.6977	Remote Similarity	NPD5909	Discontinued
0.6963	Remote Similarity	NPD2629	Approved
0.6949	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD4198	Discontinued
0.6906	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD8434	Phase 2
0.6894	Remote Similarity	NPD2182	Approved
0.6882	Remote Similarity	NPD8407	Phase 2
0.6879	Remote Similarity	NPD7458	Discontinued
0.6838	Remote Similarity	NPD5951	Approved
0.6824	Remote Similarity	NPD8312	Approved
0.6824	Remote Similarity	NPD8313	Approved
0.6821	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD7610	Discontinued
0.6809	Remote Similarity	NPD6287	Discontinued
0.6803	Remote Similarity	NPD7713	Phase 3
0.6803	Remote Similarity	NPD8032	Phase 2
0.68	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.68	Remote Similarity	NPD7900	Approved
0.6797	Remote Similarity	NPD7003	Approved
0.6797	Remote Similarity	NPD4628	Phase 3
0.6795	Remote Similarity	NPD6273	Approved
0.6769	Remote Similarity	NPD6647	Phase 2
0.6761	Remote Similarity	NPD6637	Approved
0.6735	Remote Similarity	NPD3764	Approved
0.6728	Remote Similarity	NPD7057	Phase 3
0.6728	Remote Similarity	NPD7058	Phase 2
0.6712	Remote Similarity	NPD7055	Discontinued
0.6708	Remote Similarity	NPD8455	Phase 2
0.6705	Remote Similarity	NPD8150	Discontinued
0.6693	Remote Similarity	NPD1989	Approved
0.6689	Remote Similarity	NPD7305	Phase 1
0.6689	Remote Similarity	NPD6663	Approved
0.6667	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2066	Phase 3
0.6667	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6645	Remote Similarity	NPD6190	Approved
0.6645	Remote Similarity	NPD2438	Suspended
0.6644	Remote Similarity	NPD5736	Approved
0.6643	Remote Similarity	NPD7741	Discontinued
0.6642	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6642	Remote Similarity	NPD6010	Discontinued
0.6641	Remote Similarity	NPD7902	Approved
0.6641	Remote Similarity	NPD1930	Approved
0.6641	Remote Similarity	NPD1929	Approved
0.6641	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD7097	Phase 1
0.6591	Remote Similarity	NPD164	Approved
0.6577	Remote Similarity	NPD7714	Approved
0.6577	Remote Similarity	NPD7715	Approved
0.6575	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD6065	Approved
0.6554	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6549	Remote Similarity	NPD5126	Approved
0.6549	Remote Similarity	NPD5125	Phase 3
0.6547	Remote Similarity	NPD3317	Approved
0.6543	Remote Similarity	NPD37	Approved
0.6541	Remote Similarity	NPD5048	Discontinued
0.6538	Remote Similarity	NPD7274	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD1238	Approved
0.6535	Remote Similarity	NPD7748	Approved
0.6533	Remote Similarity	NPD2979	Phase 3
0.6531	Remote Similarity	NPD7084	Phase 3
0.6524	Remote Similarity	NPD4967	Phase 2
0.6524	Remote Similarity	NPD4965	Approved
0.6524	Remote Similarity	NPD4966	Approved
0.6522	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD3495	Discontinued
0.6509	Remote Similarity	NPD7473	Discontinued
0.6503	Remote Similarity	NPD7819	Suspended
0.6496	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD7266	Discontinued
0.6493	Remote Similarity	NPD6685	Approved
0.6479	Remote Similarity	NPD3025	Approved
0.6479	Remote Similarity	NPD3024	Approved
0.6474	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD3748	Approved
0.6471	Remote Similarity	NPD7228	Approved
0.6462	Remote Similarity	NPD5926	Approved
0.646	Remote Similarity	NPD3226	Approved
0.6446	Remote Similarity	NPD6234	Discontinued
0.6439	Remote Similarity	NPD1932	Approved
0.6438	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD5844	Phase 1
0.6429	Remote Similarity	NPD5405	Approved
0.6429	Remote Similarity	NPD3673	Approved
0.6429	Remote Similarity	NPD3672	Approved
0.6429	Remote Similarity	NPD5408	Approved
0.6429	Remote Similarity	NPD5404	Approved
0.6429	Remote Similarity	NPD5406	Approved
0.6424	Remote Similarity	NPD7768	Phase 2
0.6424	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.64	Remote Similarity	NPD6798	Discontinued
0.6397	Remote Similarity	NPD2329	Discontinued
0.6389	Remote Similarity	NPD3026	Approved
0.6389	Remote Similarity	NPD3023	Approved
0.6387	Remote Similarity	NPD2346	Discontinued
0.6382	Remote Similarity	NPD6355	Discontinued
0.6364	Remote Similarity	NPD5585	Approved
0.6364	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD6233	Phase 2
0.6358	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6357	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6353	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6347	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6345	Remote Similarity	NPD1281	Approved
0.6333	Remote Similarity	NPD7095	Approved
0.6331	Remote Similarity	NPD6232	Discontinued
0.6328	Remote Similarity	NPD7631	Approved
0.6327	Remote Similarity	NPD5667	Approved
0.6322	Remote Similarity	NPD7240	Approved
0.6319	Remote Similarity	NPD3019	Approved
0.6319	Remote Similarity	NPD17	Approved
0.6319	Remote Similarity	NPD6599	Discontinued
0.6319	Remote Similarity	NPD2932	Approved
0.6312	Remote Similarity	NPD7115	Discovery
0.631	Remote Similarity	NPD5494	Approved
0.6303	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6301	Remote Similarity	NPD3972	Approved
0.6294	Remote Similarity	NPD7009	Phase 2
0.6287	Remote Similarity	NPD7075	Discontinued
0.6282	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.628	Remote Similarity	NPD7411	Suspended
0.6276	Remote Similarity	NPD8328	Phase 3
0.6272	Remote Similarity	NPD6959	Discontinued
0.6269	Remote Similarity	NPD5765	Approved
0.6266	Remote Similarity	NPD4110	Phase 3
0.6266	Remote Similarity	NPD3750	Approved
0.6266	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6265	Remote Similarity	NPD5402	Approved
0.6259	Remote Similarity	NPD6912	Phase 3
0.6258	Remote Similarity	NPD2799	Discontinued
0.6257	Remote Similarity	NPD8319	Approved
0.6257	Remote Similarity	NPD8320	Phase 1
0.625	Remote Similarity	NPD7515	Phase 2
0.625	Remote Similarity	NPD7609	Phase 3
0.625	Remote Similarity	NPD1651	Approved
0.625	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD6085	Phase 2
0.6233	Remote Similarity	NPD7437	Approved
0.6233	Remote Similarity	NPD7436	Approved
0.622	Remote Similarity	NPD7028	Phase 2
0.622	Remote Similarity	NPD4380	Phase 2
0.6218	Remote Similarity	NPD2531	Phase 2
0.6216	Remote Similarity	NPD1283	Approved
0.6212	Remote Similarity	NPD7638	Approved
0.6211	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6211	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6209	Remote Similarity	NPD4140	Approved
0.6204	Remote Similarity	NPD6686	Approved
0.6202	Remote Similarity	NPD1088	Approved
0.6196	Remote Similarity	NPD7700	Phase 2
0.6196	Remote Similarity	NPD7699	Phase 2
0.619	Remote Similarity	NPD4878	Approved
0.619	Remote Similarity	NPD1608	Approved
0.619	Remote Similarity	NPD1087	Approved
0.6184	Remote Similarity	NPD2313	Discontinued
0.6182	Remote Similarity	NPD6386	Approved
0.6182	Remote Similarity	NPD6677	Suspended
0.6182	Remote Similarity	NPD6385	Approved
0.6174	Remote Similarity	NPD3266	Approved
0.6174	Remote Similarity	NPD1470	Approved
0.6174	Remote Similarity	NPD3267	Approved
0.6173	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6165	Remote Similarity	NPD7640	Approved
0.6165	Remote Similarity	NPD7639	Approved
0.6163	Remote Similarity	NPD7997	Clinical (unspecified phase)
0.6162	Remote Similarity	NPD8285	Discontinued

Structure

NPC472361 OpenBabel07101718322D 58 63 0 0 1 0 0 0 0 0999 V2000 -1.7057 0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 -2.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 -2.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -2.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 2.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1591 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8264 2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9855 2.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 3.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 3.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5149 2.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3809 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 1.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4534 3.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 3.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1664 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3264 1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9397 -0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5149 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2797 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -1.6276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 0.6840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9168 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 -1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -0.3420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8264 -0.9848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1133 -0.6428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6736 -0.1188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3473 -1.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3264 -1.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 0.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 1.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 2.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 -0.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 1.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -0.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 0.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 32 2 0 0 0 0 3 33 1 0 0 0 0 4 48 1 0 0 0 0 5 48 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 16 34 2 0 0 0 0 17 34 1 0 0 0 0 18 35 2 0 0 0 0 19 35 1 0 0 0 0 20 36 2 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 23 26 2 0 0 0 0 23 35 1 0 0 0 0 24 27 2 0 0 0 0 24 36 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 29 49 1 0 0 0 0 30 38 1 0 0 0 0 31 38 1 0 0 0 0 31 43 2 0 0 0 0 32 39 1 0 0 0 0 32 44 1 0 0 0 0 33 50 2 0 0 0 0 33 55 1 0 0 0 0 37 30 1 6 0 0 0 37 45 1 0 0 0 0 37 48 1 0 0 0 0 38 51 2 0 0 0 0 39 56 1 6 0 0 0 40 52 2 0 0 0 0 40 56 1 0 0 0 0 41 53 2 0 0 0 0 41 57 1 0 0 0 0 42 54 2 0 0 0 0 42 58 1 0 0 0 0 43 46 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 1 0 0 0 45 55 1 6 0 0 0 46 47 1 0 0 0 0 46 57 1 1 0 0 0 47 49 1 6 0 0 0 47 58 1 0 0 0 0 49 6 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	44351436
ChEMBL	CHEMBL338319
ZINC

Physicochemical Properties

Molecular Weight:	782.35
ALogP:	2.0525
MLogP:	5.86
XLogP:	14.534
# Rotatable Bonds:	19
Polar Surface Area:	122.27
# H-Bond Aceptor:	9
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	58

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