NPASS Natural Product

Natural Product: NPC471864

Natural Product ID:	NPC471864
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C38H50O5
Standard InCHIKey:	YFMGTUBEDZUBRT-JQRZNMFWSA-N
Standard InCHI:	InChI=1S/C38H50O5/c1-23(21-39)17-26-19-27(34(41)43-26)28-11-12-30-35(28,2)16-14-31-36(3)15-13-25-18-29(24-9-7-6-8-10-24)42-22-37(25,4)32(36)20-33(40)38(30,31)5/h6-10,12-13,17,26-29,31-33,39-40H,11,14-16,18-22H2,1-5H3/b23-17+/t26-,27-,28-,29-,31+,32+,33+,35-,36+,37-,38-/m0/s1
Canonical SMILES:	OC/C(=C/[C@@H]1OC(=O)[C@@H](C1)[C@@H]1CC=C2[C@@]1(C)CC[C@H]1[C@@]2(C)[C@H](O)C[C@@H]2[C@]1(C)CC=C1[C@]2(C)CO[C@@H](C1)c1ccccc1)/C
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
NPO9878	Dichapetalum gelonioides	Species	Dichapetalaceae	Eukaryota				PMID[24597894]

Biological Activity

Activity Type	# Activity
EC50	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2779	Organism	Spodoptera exigua	Spodoptera exigua	EC50	=	3.4	microg/cm2	23046382

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 NPC471864 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	173
0.1-0.2	774
0.2-0.3	1486
0.3-0.4	2777
0.4-0.5	4975
0.5-0.6	10033
0.6-0.7	9575
0.7-0.8	948
0.8-0.85	138
0.85-0.9	7
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9692	High Similarity	NPC262324
0.9545	High Similarity	NPC79921
0.9542	High Similarity	NPC243893
0.875	High Similarity	NPC261659
0.8741	High Similarity	NPC253591
0.8741	High Similarity	NPC203486
0.8686	High Similarity	NPC475373
0.8671	High Similarity	NPC475561
0.8671	High Similarity	NPC475417
0.8603	High Similarity	NPC48929
0.8496	Intermediate Similarity	NPC5486
0.8496	Intermediate Similarity	NPC253681
0.8421	Intermediate Similarity	NPC470816
0.8409	Intermediate Similarity	NPC307139
0.8382	Intermediate Similarity	NPC470278
0.8382	Intermediate Similarity	NPC72915
0.8358	Intermediate Similarity	NPC169913
0.8345	Intermediate Similarity	NPC472374
0.8345	Intermediate Similarity	NPC472372
0.8333	Intermediate Similarity	NPC473602
0.8333	Intermediate Similarity	NPC182333
0.8333	Intermediate Similarity	NPC273336
0.8299	Intermediate Similarity	NPC472548
0.8284	Intermediate Similarity	NPC275576
0.8273	Intermediate Similarity	NPC477893
0.8271	Intermediate Similarity	NPC77691
0.8261	Intermediate Similarity	NPC472656
0.8239	Intermediate Similarity	NPC471862
0.8239	Intermediate Similarity	NPC224491
0.8231	Intermediate Similarity	NPC279442
0.8222	Intermediate Similarity	NPC473220
0.8222	Intermediate Similarity	NPC470753
0.8201	Intermediate Similarity	NPC126516
0.8201	Intermediate Similarity	NPC329913
0.8194	Intermediate Similarity	NPC475122
0.8188	Intermediate Similarity	NPC472549
0.8176	Intermediate Similarity	NPC477905
0.8175	Intermediate Similarity	NPC475138
0.8175	Intermediate Similarity	NPC472388
0.8175	Intermediate Similarity	NPC147561
0.8169	Intermediate Similarity	NPC248287
0.8169	Intermediate Similarity	NPC234548
0.8169	Intermediate Similarity	NPC100913
0.8169	Intermediate Similarity	NPC90614
0.8169	Intermediate Similarity	NPC275592
0.8156	Intermediate Similarity	NPC249817
0.8156	Intermediate Similarity	NPC39549
0.8148	Intermediate Similarity	NPC470765
0.8143	Intermediate Similarity	NPC477896
0.8138	Intermediate Similarity	NPC184817
0.8138	Intermediate Similarity	NPC171525
0.8138	Intermediate Similarity	NPC29704
0.8138	Intermediate Similarity	NPC469349
0.8138	Intermediate Similarity	NPC473088
0.8138	Intermediate Similarity	NPC472556
0.8138	Intermediate Similarity	NPC177940
0.8138	Intermediate Similarity	NPC472575
0.8138	Intermediate Similarity	NPC472568
0.8138	Intermediate Similarity	NPC174982
0.8138	Intermediate Similarity	NPC471104
0.8138	Intermediate Similarity	NPC472572
0.8138	Intermediate Similarity	NPC200471
0.8138	Intermediate Similarity	NPC470159
0.8138	Intermediate Similarity	NPC70403
0.8138	Intermediate Similarity	NPC470157
0.8138	Intermediate Similarity	NPC476973
0.8138	Intermediate Similarity	NPC96903
0.8138	Intermediate Similarity	NPC472571
0.8138	Intermediate Similarity	NPC158663
0.8129	Intermediate Similarity	NPC471861
0.8125	Intermediate Similarity	NPC91703
0.8125	Intermediate Similarity	NPC163087
0.8121	Intermediate Similarity	NPC472658
0.8121	Intermediate Similarity	NPC472657
0.812	Intermediate Similarity	NPC369
0.812	Intermediate Similarity	NPC293831
0.8112	Intermediate Similarity	NPC118080
0.8112	Intermediate Similarity	NPC291599
0.8112	Intermediate Similarity	NPC16912
0.8112	Intermediate Similarity	NPC87448
0.8112	Intermediate Similarity	NPC472576
0.8112	Intermediate Similarity	NPC27377
0.8112	Intermediate Similarity	NPC97947
0.8112	Intermediate Similarity	NPC41481
0.8106	Intermediate Similarity	NPC183339
0.8106	Intermediate Similarity	NPC234337
0.8106	Intermediate Similarity	NPC133389
0.8102	Intermediate Similarity	NPC225103
0.8099	Intermediate Similarity	NPC22676
0.8099	Intermediate Similarity	NPC198621
0.8099	Intermediate Similarity	NPC216940
0.8099	Intermediate Similarity	NPC475482
0.8095	Intermediate Similarity	NPC301556
0.8095	Intermediate Similarity	NPC270590
0.8095	Intermediate Similarity	NPC266265
0.8095	Intermediate Similarity	NPC471101
0.8095	Intermediate Similarity	NPC92293
0.8088	Intermediate Similarity	NPC190849
0.8088	Intermediate Similarity	NPC171007
0.8085	Intermediate Similarity	NPC472551
0.8085	Intermediate Similarity	NPC472545
0.8085	Intermediate Similarity	NPC173569
0.8085	Intermediate Similarity	NPC477874
0.8082	Intermediate Similarity	NPC474935
0.8082	Intermediate Similarity	NPC240115
0.8069	Intermediate Similarity	NPC475759
0.8069	Intermediate Similarity	NPC11685
0.8069	Intermediate Similarity	NPC163719
0.8069	Intermediate Similarity	NPC472569
0.8069	Intermediate Similarity	NPC188865
0.8069	Intermediate Similarity	NPC25768
0.8069	Intermediate Similarity	NPC472570
0.8069	Intermediate Similarity	NPC70716
0.8069	Intermediate Similarity	NPC470152
0.8069	Intermediate Similarity	NPC95810
0.8069	Intermediate Similarity	NPC125106
0.8069	Intermediate Similarity	NPC57628
0.8069	Intermediate Similarity	NPC95265
0.8069	Intermediate Similarity	NPC476974
0.8069	Intermediate Similarity	NPC241951
0.8069	Intermediate Similarity	NPC472573
0.8067	Intermediate Similarity	NPC473611
0.8067	Intermediate Similarity	NPC473632
0.8067	Intermediate Similarity	NPC469730
0.8067	Intermediate Similarity	NPC132599
0.8056	Intermediate Similarity	NPC172311
0.8056	Intermediate Similarity	NPC192658
0.8056	Intermediate Similarity	NPC471856
0.8043	Intermediate Similarity	NPC473443
0.8042	Intermediate Similarity	NPC171207
0.8042	Intermediate Similarity	NPC162613
0.8042	Intermediate Similarity	NPC475400
0.8042	Intermediate Similarity	NPC472547
0.8042	Intermediate Similarity	NPC477904
0.8042	Intermediate Similarity	NPC97667
0.8042	Intermediate Similarity	NPC473440
0.8042	Intermediate Similarity	NPC87934
0.8042	Intermediate Similarity	NPC183270
0.8041	Intermediate Similarity	NPC325032
0.8041	Intermediate Similarity	NPC477483
0.8027	Intermediate Similarity	NPC281717
0.8026	Intermediate Similarity	NPC476784
0.8015	Intermediate Similarity	NPC45794
0.8014	Intermediate Similarity	NPC473399
0.8014	Intermediate Similarity	NPC473216
0.8	Intermediate Similarity	NPC477468
0.8	Intermediate Similarity	NPC477894
0.8	Intermediate Similarity	NPC95449
0.7987	Intermediate Similarity	NPC470153
0.7986	Intermediate Similarity	NPC266374
0.7973	Intermediate Similarity	NPC473215
0.7973	Intermediate Similarity	NPC476975
0.7972	Intermediate Similarity	NPC472395
0.7972	Intermediate Similarity	NPC475652
0.7972	Intermediate Similarity	NPC472371
0.7972	Intermediate Similarity	NPC214550
0.7972	Intermediate Similarity	NPC210591
0.7972	Intermediate Similarity	NPC9905
0.7959	Intermediate Similarity	NPC475552
0.7958	Intermediate Similarity	NPC472804
0.7945	Intermediate Similarity	NPC34943
0.7943	Intermediate Similarity	NPC310662
0.7943	Intermediate Similarity	NPC474608
0.7939	Intermediate Similarity	NPC470820
0.7931	Intermediate Similarity	NPC472801
0.7931	Intermediate Similarity	NPC475135
0.7931	Intermediate Similarity	NPC304110
0.7931	Intermediate Similarity	NPC34012
0.7931	Intermediate Similarity	NPC472546
0.7931	Intermediate Similarity	NPC27518
0.7931	Intermediate Similarity	NPC140021
0.7929	Intermediate Similarity	NPC471880
0.7929	Intermediate Similarity	NPC472394
0.7929	Intermediate Similarity	NPC80599
0.7929	Intermediate Similarity	NPC475493
0.7922	Intermediate Similarity	NPC476077
0.7919	Intermediate Similarity	NPC469448
0.7919	Intermediate Similarity	NPC470245
0.7919	Intermediate Similarity	NPC473214
0.7917	Intermediate Similarity	NPC184747
0.7917	Intermediate Similarity	NPC147880
0.7917	Intermediate Similarity	NPC473112
0.7917	Intermediate Similarity	NPC473758
0.7917	Intermediate Similarity	NPC473109
0.7917	Intermediate Similarity	NPC211137
0.7917	Intermediate Similarity	NPC473081
0.7917	Intermediate Similarity	NPC4341
0.7917	Intermediate Similarity	NPC473613
0.7917	Intermediate Similarity	NPC48017
0.7917	Intermediate Similarity	NPC476094
0.7917	Intermediate Similarity	NPC200592
0.7917	Intermediate Similarity	NPC43241
0.7917	Intermediate Similarity	NPC473060
0.7917	Intermediate Similarity	NPC473085
0.7914	Intermediate Similarity	NPC49272
0.7905	Intermediate Similarity	NPC473760
0.7905	Intermediate Similarity	NPC132652
0.7902	Intermediate Similarity	NPC283375
0.7902	Intermediate Similarity	NPC183122
0.7899	Intermediate Similarity	NPC230331

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471864 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	181
0.1-0.2	698
0.2-0.3	1228
0.3-0.4	2466
0.4-0.5	2433
0.5-0.6	1646
0.6-0.7	459
0.7-0.8	50
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
0.7955	Intermediate Similarity	NPD7741	Discontinued
0.7891	Intermediate Similarity	NPD7236	Approved
0.7676	Intermediate Similarity	NPD6663	Approved
0.7632	Intermediate Similarity	NPD7239	Suspended
0.7535	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD7799	Discontinued
0.7519	Intermediate Similarity	NPD2629	Approved
0.7518	Intermediate Similarity	NPD5736	Approved
0.7517	Intermediate Similarity	NPD8166	Discontinued
0.7434	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD6858	Approved
0.7368	Intermediate Similarity	NPD7094	Approved
0.7333	Intermediate Similarity	NPD4198	Discontinued
0.7329	Intermediate Similarity	NPD8127	Discontinued
0.7324	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD7008	Discontinued
0.7212	Intermediate Similarity	NPD7228	Approved
0.7203	Intermediate Similarity	NPD5740	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD6085	Phase 2
0.72	Intermediate Similarity	NPD6005	Phase 3
0.72	Intermediate Similarity	NPD6004	Phase 3
0.72	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD6002	Phase 3
0.72	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD5126	Approved
0.7194	Intermediate Similarity	NPD5125	Phase 3
0.7192	Intermediate Similarity	NPD7715	Approved
0.7192	Intermediate Similarity	NPD7714	Approved
0.7192	Intermediate Similarity	NPD7961	Discontinued
0.7192	Intermediate Similarity	NPD8032	Phase 2
0.7188	Intermediate Similarity	NPD4966	Approved
0.7188	Intermediate Similarity	NPD4967	Phase 2
0.7188	Intermediate Similarity	NPD7057	Phase 3
0.7188	Intermediate Similarity	NPD7058	Phase 2
0.7188	Intermediate Similarity	NPD4965	Approved
0.7181	Intermediate Similarity	NPD7305	Phase 1
0.7161	Intermediate Similarity	NPD6273	Approved
0.7143	Intermediate Similarity	NPD4140	Approved
0.7143	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD6591	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD3764	Approved
0.7107	Intermediate Similarity	NPD37	Approved
0.709	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD2932	Approved
0.7071	Intermediate Similarity	NPD3019	Approved
0.7059	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6010	Discontinued
0.7007	Intermediate Similarity	NPD5951	Approved
0.6994	Remote Similarity	NPD6234	Discontinued
0.6974	Remote Similarity	NPD5762	Approved
0.6974	Remote Similarity	NPD5763	Approved
0.6974	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD5760	Phase 2
0.6957	Remote Similarity	NPD5761	Phase 2
0.695	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD4628	Phase 3
0.6948	Remote Similarity	NPD7003	Approved
0.6947	Remote Similarity	NPD6647	Phase 2
0.6941	Remote Similarity	NPD7240	Approved
0.694	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD6685	Approved
0.6913	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD7097	Phase 1
0.6867	Remote Similarity	NPD5735	Approved
0.6867	Remote Similarity	NPD6355	Discontinued
0.6852	Remote Similarity	NPD8455	Phase 2
0.6842	Remote Similarity	NPD5048	Discontinued
0.6839	Remote Similarity	NPD8434	Phase 2
0.6821	Remote Similarity	NPD8407	Phase 2
0.6813	Remote Similarity	NPD7458	Discontinued
0.6813	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD3091	Approved
0.6807	Remote Similarity	NPD7199	Phase 2
0.6797	Remote Similarity	NPD6099	Approved
0.6797	Remote Similarity	NPD6100	Approved
0.6783	Remote Similarity	NPD3023	Approved
0.6783	Remote Similarity	NPD3026	Approved
0.677	Remote Similarity	NPD7028	Phase 2
0.6767	Remote Similarity	NPD5909	Discontinued
0.6761	Remote Similarity	NPD3024	Approved
0.6761	Remote Similarity	NPD8360	Approved
0.6761	Remote Similarity	NPD8361	Approved
0.6761	Remote Similarity	NPD3025	Approved
0.6744	Remote Similarity	NPD8368	Discontinued
0.6743	Remote Similarity	NPD8424	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD8150	Discontinued
0.6738	Remote Similarity	NPD7610	Discontinued
0.6736	Remote Similarity	NPD3092	Approved
0.6732	Remote Similarity	NPD7033	Discontinued
0.6731	Remote Similarity	NPD4110	Phase 3
0.6731	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD7640	Approved
0.6718	Remote Similarity	NPD7639	Approved
0.6713	Remote Similarity	NPD3095	Discontinued
0.6712	Remote Similarity	NPD1283	Approved
0.6711	Remote Similarity	NPD6353	Approved
0.6709	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD5765	Approved
0.6692	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.6691	Remote Similarity	NPD2182	Approved
0.669	Remote Similarity	NPD1608	Approved
0.6688	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD7137	Phase 2
0.6667	Remote Similarity	NPD8312	Approved
0.6667	Remote Similarity	NPD8435	Approved
0.6667	Remote Similarity	NPD3094	Phase 2
0.6667	Remote Similarity	NPD8313	Approved
0.6667	Remote Similarity	NPD6798	Discontinued
0.6667	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7229	Phase 3
0.6667	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD6765	Approved
0.6647	Remote Similarity	NPD6764	Approved
0.6646	Remote Similarity	NPD7819	Suspended
0.6644	Remote Similarity	NPD7055	Discontinued
0.6644	Remote Similarity	NPD5327	Phase 3
0.6641	Remote Similarity	NPD7638	Approved
0.663	Remote Similarity	NPD8485	Approved
0.6627	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.66	Remote Similarity	NPD7095	Approved
0.6597	Remote Similarity	NPD1778	Approved
0.6591	Remote Similarity	NPD7798	Approved
0.6579	Remote Similarity	NPD2979	Phase 3
0.6577	Remote Similarity	NPD2861	Phase 2
0.657	Remote Similarity	NPD5844	Phase 1
0.6566	Remote Similarity	NPD7768	Phase 2
0.6562	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD2532	Approved
0.6562	Remote Similarity	NPD2534	Approved
0.6562	Remote Similarity	NPD2533	Approved
0.6556	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD2797	Approved
0.6547	Remote Similarity	NPD6912	Phase 3
0.6538	Remote Similarity	NPD2346	Discontinued
0.6536	Remote Similarity	NPD5124	Phase 1
0.6536	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6533	Remote Similarity	NPD4908	Phase 1
0.6529	Remote Similarity	NPD8051	Clinical (unspecified phase)
0.6525	Remote Similarity	NPD4766	Approved
0.6522	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD2067	Discontinued
0.6519	Remote Similarity	NPD3750	Approved
0.6515	Remote Similarity	NPD9495	Approved
0.6513	Remote Similarity	NPD7713	Phase 3
0.6512	Remote Similarity	NPD1088	Approved
0.651	Remote Similarity	NPD5647	Approved
0.651	Remote Similarity	NPD4624	Approved
0.6507	Remote Similarity	NPD6287	Discontinued
0.6507	Remote Similarity	NPD4806	Approved
0.6507	Remote Similarity	NPD4807	Approved
0.6507	Remote Similarity	NPD1281	Approved
0.6505	Remote Similarity	NPD7680	Approved
0.6503	Remote Similarity	NPD3226	Approved
0.65	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD6785	Approved
0.6497	Remote Similarity	NPD6784	Approved
0.6494	Remote Similarity	NPD6653	Approved
0.6489	Remote Similarity	NPD1989	Approved
0.6486	Remote Similarity	NPD8651	Approved
0.6483	Remote Similarity	NPD5306	Approved
0.6483	Remote Similarity	NPD5305	Approved
0.6483	Remote Similarity	NPD17	Approved
0.6483	Remote Similarity	NPD7725	Approved
0.648	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6479	Remote Similarity	NPD7115	Discovery
0.6478	Remote Similarity	NPD6190	Approved
0.6478	Remote Similarity	NPD7274	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD5406	Approved
0.6474	Remote Similarity	NPD2438	Suspended
0.6474	Remote Similarity	NPD5404	Approved
0.6474	Remote Similarity	NPD5405	Approved
0.6474	Remote Similarity	NPD5408	Approved
0.6471	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD4060	Phase 1
0.6471	Remote Similarity	NPD3620	Phase 2
0.6467	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6466	Remote Similarity	NPD2066	Phase 3
0.6462	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD9545	Approved
0.6457	Remote Similarity	NPD7685	Pre-registration
0.6452	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6447	Remote Similarity	NPD3268	Approved
0.6444	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6434	Remote Similarity	NPD4230	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD7266	Discontinued
0.6424	Remote Similarity	NPD7411	Suspended
0.6424	Remote Similarity	NPD2613	Approved
0.6424	Remote Similarity	NPD6677	Suspended
0.642	Remote Similarity	NPD8658	Clinical (unspecified phase)
0.6417	Remote Similarity	NPD7497	Discontinued

Structure

NPC471864 OpenBabel07101719402D 43 49 0 0 1 0 0 0 0 0999 V2000 1.7484 0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7427 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 2.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6606 1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9907 4.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1247 5.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9907 3.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2587 4.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1247 3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9941 -0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9886 -0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7946 3.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1965 2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 1.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5266 3.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7946 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5266 1.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2587 3.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6606 3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 0.9781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6092 0.1691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5873 -0.0388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3926 3.1303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1965 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 1.6303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7946 1.6303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9285 0.1303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 0.6303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9285 2.1303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6606 2.1303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0625 0.6303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0866 2.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 -0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 -1.4945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3926 2.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 24 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 30 2 0 0 0 0 13 15 1 0 0 0 0 13 25 2 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 36 1 0 0 0 0 16 35 1 0 0 0 0 17 23 2 0 0 0 0 18 25 1 0 0 0 0 18 29 1 0 0 0 0 19 26 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 37 1 0 0 0 0 22 42 1 0 0 0 0 25 37 1 0 0 0 0 26 17 1 6 0 0 0 26 43 1 0 0 0 0 27 19 1 6 0 0 0 27 28 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 6 0 0 0 29 24 1 6 0 0 0 29 42 1 0 0 0 0 30 35 1 0 0 0 0 30 38 1 0 0 0 0 31 36 1 1 0 0 0 31 38 1 0 0 0 0 32 36 1 1 0 0 0 32 37 1 0 0 0 0 33 38 1 6 0 0 0 33 40 1 0 0 0 0 34 41 2 0 0 0 0 34 43 1 0 0 0 0 35 2 1 6 0 0 0 36 3 1 1 0 0 0 37 4 1 6 0 0 0 38 5 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71599469
ChEMBL	CHEMBL3261942
ZINC

Physicochemical Properties

Molecular Weight:	586.37
ALogP:	2.088
MLogP:	5.09
XLogP:	6.881
# Rotatable Bonds:	11
Polar Surface Area:	75.99
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	7
# Heavy Atoms:	43

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