NPASS Natural Product

Natural Product: NPC473167

Natural Product ID:	NPC473167
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C30H48O5
Standard InCHIKey:	OVJNKAWWCRMIMP-UNPOXIGHSA-N
Standard InCHI:	InChI=1S/C30H48O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h9,13,17,20-22,24-25,31-32,34-35H,10-12,14-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
Canonical SMILES:	C[C@@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(C=C1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C[C@@H]([C@H](C(O)(C)C)O)O
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
NPO30648	Alisma orientale	Species	Alismataceae	Eukaryota	Rhizomes			PMID[26425784]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT203	Individual Protein	Carboxylesterase 2	Homo sapiens	IC50	=	25700	nM	20438092

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 NPC473167 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	128
0.1-0.2	670
0.2-0.3	2469
0.3-0.4	5135
0.4-0.5	11186
0.5-0.6	4743
0.6-0.7	4440
0.7-0.8	1930
0.8-0.85	162
0.85-0.9	23
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9302	High Similarity	NPC241875
0.9302	High Similarity	NPC469314
0.9302	High Similarity	NPC469317
0.8889	High Similarity	NPC473166
0.8876	High Similarity	NPC229871
0.8876	High Similarity	NPC469319
0.8837	High Similarity	NPC86370
0.8817	High Similarity	NPC474785
0.8817	High Similarity	NPC474938
0.8804	High Similarity	NPC473170
0.8791	High Similarity	NPC198074
0.8791	High Similarity	NPC274046
0.8696	High Similarity	NPC473172
0.8667	High Similarity	NPC32830
0.8602	High Similarity	NPC469329
0.8602	High Similarity	NPC180557
0.8602	High Similarity	NPC473415
0.8602	High Similarity	NPC37787
0.8602	High Similarity	NPC30677
0.8556	High Similarity	NPC292491
0.8556	High Similarity	NPC44181
0.8556	High Similarity	NPC310752
0.8539	High Similarity	NPC473168
0.8526	High Similarity	NPC191565
0.8511	High Similarity	NPC88847
0.8511	High Similarity	NPC473164
0.8495	Intermediate Similarity	NPC209662
0.8495	Intermediate Similarity	NPC474690
0.8495	Intermediate Similarity	NPC80365
0.8444	Intermediate Similarity	NPC141292
0.8444	Intermediate Similarity	NPC90652
0.8404	Intermediate Similarity	NPC180950
0.8367	Intermediate Similarity	NPC475050
0.8353	Intermediate Similarity	NPC472746
0.8352	Intermediate Similarity	NPC470417
0.8352	Intermediate Similarity	NPC474677
0.8352	Intermediate Similarity	NPC193360
0.8351	Intermediate Similarity	NPC476897
0.8333	Intermediate Similarity	NPC89077
0.8333	Intermediate Similarity	NPC471784
0.8333	Intermediate Similarity	NPC213412
0.8333	Intermediate Similarity	NPC303777
0.8316	Intermediate Similarity	NPC473158
0.8316	Intermediate Similarity	NPC471777
0.8315	Intermediate Similarity	NPC473157
0.8298	Intermediate Similarity	NPC240617
0.8298	Intermediate Similarity	NPC299100
0.8298	Intermediate Similarity	NPC473162
0.8298	Intermediate Similarity	NPC49670
0.8295	Intermediate Similarity	NPC212083
0.828	Intermediate Similarity	NPC155304
0.828	Intermediate Similarity	NPC301244
0.8261	Intermediate Similarity	NPC31985
0.8261	Intermediate Similarity	NPC1015
0.8261	Intermediate Similarity	NPC77263
0.8261	Intermediate Similarity	NPC474245
0.8261	Intermediate Similarity	NPC250592
0.8242	Intermediate Similarity	NPC469322
0.8242	Intermediate Similarity	NPC138756
0.8242	Intermediate Similarity	NPC73064
0.8229	Intermediate Similarity	NPC247139
0.8229	Intermediate Similarity	NPC473161
0.8229	Intermediate Similarity	NPC9613
0.8222	Intermediate Similarity	NPC133954
0.8211	Intermediate Similarity	NPC139459
0.8211	Intermediate Similarity	NPC88310
0.8211	Intermediate Similarity	NPC32118
0.8211	Intermediate Similarity	NPC280725
0.8191	Intermediate Similarity	NPC134826
0.8191	Intermediate Similarity	NPC133579
0.8191	Intermediate Similarity	NPC474806
0.8191	Intermediate Similarity	NPC211230
0.8191	Intermediate Similarity	NPC275809
0.8172	Intermediate Similarity	NPC126993
0.8172	Intermediate Similarity	NPC49320
0.8172	Intermediate Similarity	NPC470589
0.8172	Intermediate Similarity	NPC126369
0.8172	Intermediate Similarity	NPC111110
0.8172	Intermediate Similarity	NPC85173
0.8163	Intermediate Similarity	NPC473174
0.8161	Intermediate Similarity	NPC474113
0.8132	Intermediate Similarity	NPC73038
0.8132	Intermediate Similarity	NPC74363
0.8132	Intermediate Similarity	NPC475862
0.8132	Intermediate Similarity	NPC471737
0.8125	Intermediate Similarity	NPC204961
0.8125	Intermediate Similarity	NPC173744
0.8125	Intermediate Similarity	NPC471153
0.8125	Intermediate Similarity	NPC207922
0.8125	Intermediate Similarity	NPC158371
0.8125	Intermediate Similarity	NPC259733
0.8125	Intermediate Similarity	NPC73004
0.8119	Intermediate Similarity	NPC330011
0.8119	Intermediate Similarity	NPC473284
0.8119	Intermediate Similarity	NPC329048
0.8111	Intermediate Similarity	NPC474493
0.8111	Intermediate Similarity	NPC180834
0.8111	Intermediate Similarity	NPC59453
0.8111	Intermediate Similarity	NPC221758
0.8105	Intermediate Similarity	NPC231063
0.8105	Intermediate Similarity	NPC471207
0.8105	Intermediate Similarity	NPC145667
0.8105	Intermediate Similarity	NPC6818
0.8105	Intermediate Similarity	NPC20235
0.8105	Intermediate Similarity	NPC114159
0.8105	Intermediate Similarity	NPC474328
0.8105	Intermediate Similarity	NPC282395
0.8105	Intermediate Similarity	NPC299996
0.8105	Intermediate Similarity	NPC32407
0.8105	Intermediate Similarity	NPC263548
0.8105	Intermediate Similarity	NPC88116
0.8105	Intermediate Similarity	NPC191412
0.8105	Intermediate Similarity	NPC472977
0.8105	Intermediate Similarity	NPC472976
0.809	Intermediate Similarity	NPC151519
0.809	Intermediate Similarity	NPC48362
0.8085	Intermediate Similarity	NPC306541
0.8085	Intermediate Similarity	NPC472149
0.8085	Intermediate Similarity	NPC52021
0.8085	Intermediate Similarity	NPC235884
0.8085	Intermediate Similarity	NPC272746
0.8085	Intermediate Similarity	NPC212301
0.8085	Intermediate Similarity	NPC235704
0.8085	Intermediate Similarity	NPC189520
0.8085	Intermediate Similarity	NPC84319
0.8085	Intermediate Similarity	NPC86266
0.8085	Intermediate Similarity	NPC300351
0.8085	Intermediate Similarity	NPC25299
0.8085	Intermediate Similarity	NPC71074
0.8085	Intermediate Similarity	NPC110657
0.8081	Intermediate Similarity	NPC473163
0.8081	Intermediate Similarity	NPC469316
0.8065	Intermediate Similarity	NPC143232
0.8065	Intermediate Similarity	NPC161751
0.8065	Intermediate Similarity	NPC61543
0.8065	Intermediate Similarity	NPC225585
0.8065	Intermediate Similarity	NPC293048
0.8065	Intermediate Similarity	NPC474686
0.8065	Intermediate Similarity	NPC474972
0.8065	Intermediate Similarity	NPC474704
0.8065	Intermediate Similarity	NPC119416
0.8065	Intermediate Similarity	NPC270768
0.8065	Intermediate Similarity	NPC127689
0.8065	Intermediate Similarity	NPC198664
0.8065	Intermediate Similarity	NPC95246
0.8065	Intermediate Similarity	NPC59263
0.8065	Intermediate Similarity	NPC274330
0.8065	Intermediate Similarity	NPC475921
0.8065	Intermediate Similarity	NPC121798
0.8065	Intermediate Similarity	NPC263393
0.8065	Intermediate Similarity	NPC130520
0.8065	Intermediate Similarity	NPC234346
0.8061	Intermediate Similarity	NPC473176
0.8061	Intermediate Similarity	NPC35239
0.8046	Intermediate Similarity	NPC148977
0.8043	Intermediate Similarity	NPC58063
0.8043	Intermediate Similarity	NPC477926
0.8043	Intermediate Similarity	NPC475740
0.8041	Intermediate Similarity	NPC259788
0.8041	Intermediate Similarity	NPC21728
0.8041	Intermediate Similarity	NPC255589
0.8041	Intermediate Similarity	NPC272451
0.8022	Intermediate Similarity	NPC197823
0.8022	Intermediate Similarity	NPC470574
0.8021	Intermediate Similarity	NPC198245
0.8021	Intermediate Similarity	NPC53565
0.8021	Intermediate Similarity	NPC96916
0.802	Intermediate Similarity	NPC472655
0.8	Intermediate Similarity	NPC202728
0.8	Intermediate Similarity	NPC107674
0.8	Intermediate Similarity	NPC239716
0.8	Intermediate Similarity	NPC307335
0.8	Intermediate Similarity	NPC237795
0.8	Intermediate Similarity	NPC141497
0.8	Intermediate Similarity	NPC12722
0.8	Intermediate Similarity	NPC136313
0.8	Intermediate Similarity	NPC264048
0.8	Intermediate Similarity	NPC471005
0.8	Intermediate Similarity	NPC170220
0.8	Intermediate Similarity	NPC162164
0.8	Intermediate Similarity	NPC229281
0.8	Intermediate Similarity	NPC158059
0.8	Intermediate Similarity	NPC324001
0.8	Intermediate Similarity	NPC74855
0.8	Intermediate Similarity	NPC118519
0.8	Intermediate Similarity	NPC191892
0.8	Intermediate Similarity	NPC82538
0.8	Intermediate Similarity	NPC118490
0.798	Intermediate Similarity	NPC469327
0.798	Intermediate Similarity	NPC282524
0.798	Intermediate Similarity	NPC256247
0.798	Intermediate Similarity	NPC115899
0.7979	Intermediate Similarity	NPC291028
0.7979	Intermediate Similarity	NPC130278
0.7979	Intermediate Similarity	NPC136801
0.7978	Intermediate Similarity	NPC121984
0.7978	Intermediate Similarity	NPC14151
0.7978	Intermediate Similarity	NPC473217
0.7961	Intermediate Similarity	NPC475065
0.7961	Intermediate Similarity	NPC41405

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473167 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	139
0.1-0.2	986
0.2-0.3	3344
0.3-0.4	2964
0.4-0.5	1138
0.5-0.6	252
0.6-0.7	217
0.7-0.8	119
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8111	Intermediate Similarity	NPD4786	Approved
0.809	Intermediate Similarity	NPD3667	Approved
0.7935	Intermediate Similarity	NPD3618	Phase 1
0.7895	Intermediate Similarity	NPD7515	Phase 2
0.7895	Intermediate Similarity	NPD6079	Approved
0.7872	Intermediate Similarity	NPD5328	Approved
0.77	Intermediate Similarity	NPD5286	Approved
0.77	Intermediate Similarity	NPD4696	Approved
0.77	Intermediate Similarity	NPD5285	Approved
0.7677	Intermediate Similarity	NPD4755	Approved
0.7667	Intermediate Similarity	NPD7525	Registered
0.7629	Intermediate Similarity	NPD4202	Approved
0.7576	Intermediate Similarity	NPD5221	Approved
0.7576	Intermediate Similarity	NPD5222	Approved
0.7576	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD7748	Approved
0.7549	Intermediate Similarity	NPD4633	Approved
0.7549	Intermediate Similarity	NPD5226	Approved
0.7549	Intermediate Similarity	NPD5224	Approved
0.7549	Intermediate Similarity	NPD5211	Phase 2
0.7549	Intermediate Similarity	NPD5225	Approved
0.7527	Intermediate Similarity	NPD3666	Approved
0.7527	Intermediate Similarity	NPD3665	Phase 1
0.7527	Intermediate Similarity	NPD3133	Approved
0.7527	Intermediate Similarity	NPD3668	Phase 3
0.7525	Intermediate Similarity	NPD4700	Approved
0.75	Intermediate Similarity	NPD4753	Phase 2
0.75	Intermediate Similarity	NPD5173	Approved
0.7476	Intermediate Similarity	NPD5174	Approved
0.7476	Intermediate Similarity	NPD5175	Approved
0.7451	Intermediate Similarity	NPD5223	Approved
0.7449	Intermediate Similarity	NPD6399	Phase 3
0.7447	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD6933	Approved
0.7404	Intermediate Similarity	NPD5141	Approved
0.74	Intermediate Similarity	NPD4697	Phase 3
0.7383	Intermediate Similarity	NPD4634	Approved
0.7368	Intermediate Similarity	NPD5279	Phase 3
0.7368	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7363	Intermediate Similarity	NPD7645	Phase 2
0.7358	Intermediate Similarity	NPD6899	Approved
0.7358	Intermediate Similarity	NPD6881	Approved
0.7347	Intermediate Similarity	NPD6411	Approved
0.7333	Intermediate Similarity	NPD7128	Approved
0.7333	Intermediate Similarity	NPD5739	Approved
0.7333	Intermediate Similarity	NPD6675	Approved
0.7333	Intermediate Similarity	NPD6402	Approved
0.7327	Intermediate Similarity	NPD7902	Approved
0.732	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.73	Intermediate Similarity	NPD4629	Approved
0.73	Intermediate Similarity	NPD5210	Approved
0.7297	Intermediate Similarity	NPD7115	Discovery
0.7264	Intermediate Similarity	NPD5697	Approved
0.7248	Intermediate Similarity	NPD8297	Approved
0.7234	Intermediate Similarity	NPD4788	Approved
0.7222	Intermediate Similarity	NPD6883	Approved
0.7222	Intermediate Similarity	NPD7102	Approved
0.7222	Intermediate Similarity	NPD7290	Approved
0.7196	Intermediate Similarity	NPD4729	Approved
0.7196	Intermediate Similarity	NPD4730	Approved
0.7196	Intermediate Similarity	NPD7320	Approved
0.7191	Intermediate Similarity	NPD6924	Approved
0.7191	Intermediate Similarity	NPD6926	Approved
0.7188	Intermediate Similarity	NPD4623	Approved
0.7188	Intermediate Similarity	NPD4519	Discontinued
0.717	Intermediate Similarity	NPD4767	Approved
0.717	Intermediate Similarity	NPD4768	Approved
0.7159	Intermediate Similarity	NPD4808	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD4809	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD6083	Phase 2
0.7157	Intermediate Similarity	NPD6084	Phase 2
0.7156	Intermediate Similarity	NPD8130	Phase 1
0.7156	Intermediate Similarity	NPD6650	Approved
0.7156	Intermediate Similarity	NPD6617	Approved
0.7156	Intermediate Similarity	NPD6869	Approved
0.7156	Intermediate Similarity	NPD6649	Approved
0.7156	Intermediate Similarity	NPD6847	Approved
0.7143	Intermediate Similarity	NPD6101	Approved
0.7143	Intermediate Similarity	NPD4754	Approved
0.7143	Intermediate Similarity	NPD5764	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD6372	Approved
0.713	Intermediate Similarity	NPD6013	Approved
0.713	Intermediate Similarity	NPD6373	Approved
0.713	Intermediate Similarity	NPD6012	Approved
0.713	Intermediate Similarity	NPD6014	Approved
0.7128	Intermediate Similarity	NPD4221	Approved
0.7128	Intermediate Similarity	NPD4223	Phase 3
0.7126	Intermediate Similarity	NPD3700	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD3699	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD7339	Approved
0.7111	Intermediate Similarity	NPD6942	Approved
0.7103	Intermediate Similarity	NPD5701	Approved
0.7097	Intermediate Similarity	NPD4695	Discontinued
0.7097	Intermediate Similarity	NPD7509	Discontinued
0.7097	Intermediate Similarity	NPD8259	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD6882	Approved
0.7087	Intermediate Similarity	NPD7638	Approved
0.7083	Intermediate Similarity	NPD5329	Approved
0.7064	Intermediate Similarity	NPD5250	Approved
0.7064	Intermediate Similarity	NPD5249	Phase 3
0.7064	Intermediate Similarity	NPD5251	Approved
0.7064	Intermediate Similarity	NPD5247	Approved
0.7064	Intermediate Similarity	NPD5248	Approved
0.7037	Intermediate Similarity	NPD6011	Approved
0.7037	Intermediate Similarity	NPD5128	Approved
0.7033	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD6117	Approved
0.703	Intermediate Similarity	NPD7900	Approved
0.703	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD4632	Approved
0.7019	Intermediate Similarity	NPD7640	Approved
0.7019	Intermediate Similarity	NPD7639	Approved
0.701	Intermediate Similarity	NPD4694	Approved
0.701	Intermediate Similarity	NPD5280	Approved
0.7	Intermediate Similarity	NPD5215	Approved
0.7	Intermediate Similarity	NPD5281	Approved
0.7	Intermediate Similarity	NPD5217	Approved
0.7	Intermediate Similarity	NPD8034	Phase 2
0.7	Intermediate Similarity	NPD5216	Approved
0.7	Intermediate Similarity	NPD8035	Phase 2
0.7	Intermediate Similarity	NPD5284	Approved
0.6979	Remote Similarity	NPD4197	Approved
0.6966	Remote Similarity	NPD7152	Approved
0.6966	Remote Similarity	NPD7151	Approved
0.6966	Remote Similarity	NPD7150	Approved
0.6957	Remote Similarity	NPD6932	Approved
0.6957	Remote Similarity	NPD6116	Phase 1
0.6944	Remote Similarity	NPD6412	Phase 2
0.6939	Remote Similarity	NPD7524	Approved
0.6932	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4225	Approved
0.6923	Remote Similarity	NPD3703	Phase 2
0.6915	Remote Similarity	NPD6931	Approved
0.6915	Remote Similarity	NPD6930	Phase 2
0.6915	Remote Similarity	NPD7332	Phase 2
0.6909	Remote Similarity	NPD5169	Approved
0.6909	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD5135	Approved
0.6907	Remote Similarity	NPD1696	Phase 3
0.6882	Remote Similarity	NPD6118	Approved
0.6882	Remote Similarity	NPD6115	Approved
0.6882	Remote Similarity	NPD6114	Approved
0.6882	Remote Similarity	NPD6697	Approved
0.6882	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD3617	Approved
0.6881	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD5168	Approved
0.6875	Remote Similarity	NPD6695	Phase 3
0.6869	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD7143	Approved
0.6854	Remote Similarity	NPD4245	Approved
0.6854	Remote Similarity	NPD4244	Approved
0.6854	Remote Similarity	NPD7144	Approved
0.6847	Remote Similarity	NPD5127	Approved
0.6847	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD4693	Phase 3
0.6837	Remote Similarity	NPD4689	Approved
0.6837	Remote Similarity	NPD6684	Approved
0.6837	Remote Similarity	NPD7334	Approved
0.6837	Remote Similarity	NPD4138	Approved
0.6837	Remote Similarity	NPD4688	Approved
0.6837	Remote Similarity	NPD5690	Phase 2
0.6837	Remote Similarity	NPD5205	Approved
0.6837	Remote Similarity	NPD4690	Approved
0.6837	Remote Similarity	NPD6409	Approved
0.6837	Remote Similarity	NPD7521	Approved
0.6837	Remote Similarity	NPD7146	Approved
0.6837	Remote Similarity	NPD5330	Approved
0.6818	Remote Similarity	NPD5361	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5360	Phase 3
0.6813	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6319	Approved
0.681	Remote Similarity	NPD6054	Approved
0.6809	Remote Similarity	NPD6929	Approved
0.6804	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD5695	Phase 3
0.6768	Remote Similarity	NPD3573	Approved
0.6765	Remote Similarity	NPD5779	Approved
0.6765	Remote Similarity	NPD5778	Approved
0.6762	Remote Similarity	NPD5696	Approved
0.6742	Remote Similarity	NPD6922	Approved
0.6742	Remote Similarity	NPD6923	Approved
0.6742	Remote Similarity	NPD3698	Phase 2
0.6739	Remote Similarity	NPD8264	Approved
0.6737	Remote Similarity	NPD7514	Phase 3
0.6724	Remote Similarity	NPD7100	Approved
0.6724	Remote Similarity	NPD7101	Approved
0.6702	Remote Similarity	NPD7145	Approved
0.67	Remote Similarity	NPD6903	Approved
0.67	Remote Similarity	NPD4518	Approved
0.67	Remote Similarity	NPD5737	Approved
0.67	Remote Similarity	NPD6672	Approved
0.6696	Remote Similarity	NPD6009	Approved
0.6695	Remote Similarity	NPD6370	Approved
0.6667	Remote Similarity	NPD4789	Approved
0.6667	Remote Similarity	NPD4139	Approved
0.6667	Remote Similarity	NPD5167	Approved
0.6667	Remote Similarity	NPD4692	Approved

Structure

NPC473167 OpenBabel07101718292D 35 38 0 0 1 0 0 0 0 0999 V2000 -3.0247 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0443 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 5.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 5.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4475 -0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6876 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8438 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 3.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0716 2.6893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7705 1.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8438 1.4615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7207 4.3401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6876 -0.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3753 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8438 0.4872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0687 5.0642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5315 -1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8438 0.4872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6876 1.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6738 4.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2191 -1.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 5.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 3.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 27 1 0 0 0 0 7 29 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 1 1 6 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 29 1 0 0 0 0 20 24 1 0 0 0 0 20 31 1 6 0 0 0 21 25 1 0 0 0 0 21 32 1 6 0 0 0 22 26 1 0 0 0 0 22 28 1 6 0 0 0 23 26 1 0 0 0 0 23 33 2 0 0 0 0 24 28 1 1 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 34 1 1 0 0 0 27 35 1 0 0 0 0 28 6 1 6 0 0 0 29 30 1 1 0 0 0 30 8 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3632947
ZINC

Physicochemical Properties

Molecular Weight:	488.35
ALogP:	1.2179
MLogP:	4.21
XLogP:	4.416
# Rotatable Bonds:	17
Polar Surface Area:	97.99
# H-Bond Aceptor:	5
# H-Bond Donor:	4
# Rings:	4
# Heavy Atoms:	35

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