NPASS Natural Product

Natural Product: NPC472975

Natural Product ID:	NPC472975
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C21H34O3
Standard InCHIKey:	LPYIFWOTSGRWLD-WLJLVMMNSA-N
Standard InCHI:	InChI=1S/C21H34O3/c1-13(2)21(24-6)10-7-15-14(12-21)16(22)11-17-19(3,4)18(23)8-9-20(15,17)5/h12-13,15,17-18,23H,7-11H2,1-6H3/t15-,17-,18-,20+,21+/m1/s1
Canonical SMILES:	CO[C@]1(CC[C@@H]2C(=C1)C(=O)C[C@H]1[C@@]2(C)CC[C@H](C1(C)C)O)C(C)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
NPO32900	chloranthus sessilifolius	Species	Chloranthaceae	Eukaryota	Whole Plants	Fengqi Mountains, Sichuan Province, China	2012-AUG	PMID[26126961]

Biological Activity

Activity Type	# Activity
IC50	1
Others	1

Activity Type	# Activity
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	96.7	%	25737008
NPT2	Others	Unspecified		IC50	=	8300	nM	20547801

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 NPC472975 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	131
0.1-0.2	746
0.2-0.3	2599
0.3-0.4	4913
0.4-0.5	10265
0.5-0.6	5318
0.6-0.7	4278
0.7-0.8	2393
0.8-0.85	221
0.85-0.9	21
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9535	High Similarity	NPC472973
0.9318	High Similarity	NPC472978
0.9111	High Similarity	NPC472976
0.9111	High Similarity	NPC472977
0.8953	High Similarity	NPC476412
0.8817	High Similarity	NPC253826
0.8764	High Similarity	NPC158778
0.875	High Similarity	NPC472985
0.875	High Similarity	NPC472986
0.875	High Similarity	NPC472974
0.8636	High Similarity	NPC470574
0.8621	High Similarity	NPC64600
0.8602	High Similarity	NPC316215
0.8602	High Similarity	NPC259286
0.8587	High Similarity	NPC69454
0.8571	High Similarity	NPC476437
0.8571	High Similarity	NPC478052
0.8571	High Similarity	NPC476369
0.8556	High Similarity	NPC328539
0.8556	High Similarity	NPC474925
0.8542	High Similarity	NPC472637
0.8542	High Similarity	NPC471412
0.8511	High Similarity	NPC160056
0.8511	High Similarity	NPC249954
0.8506	High Similarity	NPC48362
0.8495	Intermediate Similarity	NPC471207
0.8495	Intermediate Similarity	NPC476415
0.8478	Intermediate Similarity	NPC63748
0.8478	Intermediate Similarity	NPC475806
0.8469	Intermediate Similarity	NPC118911
0.8462	Intermediate Similarity	NPC472983
0.8462	Intermediate Similarity	NPC275740
0.8462	Intermediate Similarity	NPC309603
0.8462	Intermediate Similarity	NPC86319
0.8462	Intermediate Similarity	NPC473999
0.8438	Intermediate Similarity	NPC471413
0.8438	Intermediate Similarity	NPC117685
0.8427	Intermediate Similarity	NPC476426
0.8421	Intermediate Similarity	NPC285513
0.8421	Intermediate Similarity	NPC254496
0.8421	Intermediate Similarity	NPC474343
0.8409	Intermediate Similarity	NPC105173
0.8404	Intermediate Similarity	NPC473170
0.8404	Intermediate Similarity	NPC271195
0.84	Intermediate Similarity	NPC177064
0.8391	Intermediate Similarity	NPC473217
0.8387	Intermediate Similarity	NPC139692
0.8384	Intermediate Similarity	NPC60681
0.8372	Intermediate Similarity	NPC308038
0.837	Intermediate Similarity	NPC128672
0.837	Intermediate Similarity	NPC85173
0.837	Intermediate Similarity	NPC134321
0.837	Intermediate Similarity	NPC48010
0.8352	Intermediate Similarity	NPC143767
0.8352	Intermediate Similarity	NPC206060
0.8352	Intermediate Similarity	NPC104560
0.8352	Intermediate Similarity	NPC472802
0.8352	Intermediate Similarity	NPC131470
0.8333	Intermediate Similarity	NPC108368
0.8333	Intermediate Similarity	NPC57079
0.8333	Intermediate Similarity	NPC73038
0.8333	Intermediate Similarity	NPC158393
0.8333	Intermediate Similarity	NPC478056
0.8316	Intermediate Similarity	NPC471463
0.8316	Intermediate Similarity	NPC61369
0.8316	Intermediate Similarity	NPC29952
0.8316	Intermediate Similarity	NPC469545
0.8316	Intermediate Similarity	NPC5532
0.8315	Intermediate Similarity	NPC40687
0.8315	Intermediate Similarity	NPC227132
0.8315	Intermediate Similarity	NPC251170
0.83	Intermediate Similarity	NPC110496
0.83	Intermediate Similarity	NPC475294
0.8298	Intermediate Similarity	NPC8993
0.8298	Intermediate Similarity	NPC299100
0.8298	Intermediate Similarity	NPC103527
0.8298	Intermediate Similarity	NPC91010
0.8295	Intermediate Similarity	NPC93590
0.828	Intermediate Similarity	NPC168027
0.828	Intermediate Similarity	NPC473998
0.828	Intermediate Similarity	NPC272746
0.828	Intermediate Similarity	NPC185936
0.8276	Intermediate Similarity	NPC476809
0.8276	Intermediate Similarity	NPC2482
0.8265	Intermediate Similarity	NPC185530
0.8265	Intermediate Similarity	NPC477915
0.8265	Intermediate Similarity	NPC136289
0.8265	Intermediate Similarity	NPC473424
0.8265	Intermediate Similarity	NPC162973
0.8261	Intermediate Similarity	NPC119416
0.8261	Intermediate Similarity	NPC69627
0.8256	Intermediate Similarity	NPC62336
0.8247	Intermediate Similarity	NPC201406
0.8242	Intermediate Similarity	NPC471792
0.8242	Intermediate Similarity	NPC475740
0.8242	Intermediate Similarity	NPC298904
0.8229	Intermediate Similarity	NPC38530
0.8229	Intermediate Similarity	NPC84335
0.8229	Intermediate Similarity	NPC473456
0.8229	Intermediate Similarity	NPC474977
0.8222	Intermediate Similarity	NPC133954
0.8218	Intermediate Similarity	NPC189075
0.8218	Intermediate Similarity	NPC275539
0.8211	Intermediate Similarity	NPC272617
0.8211	Intermediate Similarity	NPC266899
0.8211	Intermediate Similarity	NPC134067
0.8211	Intermediate Similarity	NPC139570
0.8211	Intermediate Similarity	NPC180950
0.8191	Intermediate Similarity	NPC272075
0.8191	Intermediate Similarity	NPC472930
0.8191	Intermediate Similarity	NPC295643
0.8191	Intermediate Similarity	NPC476416
0.8191	Intermediate Similarity	NPC214756
0.8191	Intermediate Similarity	NPC109305
0.8182	Intermediate Similarity	NPC476889
0.8182	Intermediate Similarity	NPC476848
0.8182	Intermediate Similarity	NPC478057
0.8182	Intermediate Similarity	NPC26478
0.8182	Intermediate Similarity	NPC112009
0.8172	Intermediate Similarity	NPC126993
0.8172	Intermediate Similarity	NPC472325
0.8172	Intermediate Similarity	NPC183283
0.8172	Intermediate Similarity	NPC230332
0.8172	Intermediate Similarity	NPC38952
0.8172	Intermediate Similarity	NPC191684
0.8163	Intermediate Similarity	NPC81530
0.8161	Intermediate Similarity	NPC170394
0.8152	Intermediate Similarity	NPC471791
0.8152	Intermediate Similarity	NPC471793
0.8152	Intermediate Similarity	NPC471722
0.8152	Intermediate Similarity	NPC48107
0.8144	Intermediate Similarity	NPC103051
0.8144	Intermediate Similarity	NPC316598
0.814	Intermediate Similarity	NPC197659
0.8132	Intermediate Similarity	NPC322159
0.8132	Intermediate Similarity	NPC145879
0.8132	Intermediate Similarity	NPC474778
0.8132	Intermediate Similarity	NPC474733
0.8132	Intermediate Similarity	NPC474732
0.8132	Intermediate Similarity	NPC179591
0.8132	Intermediate Similarity	NPC72133
0.8132	Intermediate Similarity	NPC470955
0.8132	Intermediate Similarity	NPC31564
0.8132	Intermediate Similarity	NPC213412
0.8132	Intermediate Similarity	NPC74363
0.8132	Intermediate Similarity	NPC475862
0.8132	Intermediate Similarity	NPC325594
0.8125	Intermediate Similarity	NPC202833
0.8125	Intermediate Similarity	NPC242848
0.8125	Intermediate Similarity	NPC234993
0.8125	Intermediate Similarity	NPC134072
0.8111	Intermediate Similarity	NPC470812
0.8111	Intermediate Similarity	NPC214043
0.8111	Intermediate Similarity	NPC85774
0.8105	Intermediate Similarity	NPC23170
0.8105	Intermediate Similarity	NPC470957
0.8105	Intermediate Similarity	NPC196227
0.8105	Intermediate Similarity	NPC470958
0.81	Intermediate Similarity	NPC209502
0.81	Intermediate Similarity	NPC204833
0.8085	Intermediate Similarity	NPC233455
0.8085	Intermediate Similarity	NPC65120
0.8085	Intermediate Similarity	NPC233116
0.8085	Intermediate Similarity	NPC248913
0.8085	Intermediate Similarity	NPC158030
0.8085	Intermediate Similarity	NPC99380
0.8085	Intermediate Similarity	NPC145067
0.8085	Intermediate Similarity	NPC116726
0.8085	Intermediate Similarity	NPC4036
0.8081	Intermediate Similarity	NPC40918
0.8081	Intermediate Similarity	NPC476890
0.8077	Intermediate Similarity	NPC277769
0.8077	Intermediate Similarity	NPC90952
0.8068	Intermediate Similarity	NPC172013
0.8068	Intermediate Similarity	NPC104120
0.8068	Intermediate Similarity	NPC469637
0.8068	Intermediate Similarity	NPC148685
0.8068	Intermediate Similarity	NPC157895
0.8065	Intermediate Similarity	NPC5509
0.8065	Intermediate Similarity	NPC31985
0.8065	Intermediate Similarity	NPC186688
0.8065	Intermediate Similarity	NPC123912
0.8065	Intermediate Similarity	NPC1015
0.8061	Intermediate Similarity	NPC154072
0.8061	Intermediate Similarity	NPC474012
0.8061	Intermediate Similarity	NPC144956
0.8061	Intermediate Similarity	NPC476299
0.8061	Intermediate Similarity	NPC112167
0.8061	Intermediate Similarity	NPC476274
0.8046	Intermediate Similarity	NPC475994
0.8043	Intermediate Similarity	NPC58063
0.8043	Intermediate Similarity	NPC231599
0.8043	Intermediate Similarity	NPC73064
0.8043	Intermediate Similarity	NPC472324
0.8043	Intermediate Similarity	NPC476409
0.8043	Intermediate Similarity	NPC141292
0.8041	Intermediate Similarity	NPC170131
0.8041	Intermediate Similarity	NPC126815
0.8041	Intermediate Similarity	NPC18509
0.8041	Intermediate Similarity	NPC291634

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472975 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	141
0.1-0.2	1187
0.2-0.3	3409
0.3-0.4	2705
0.4-0.5	1167
0.5-0.6	218
0.6-0.7	185
0.7-0.8	135
0.8-0.85	12
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8681	High Similarity	NPD6079	Approved
0.8667	High Similarity	NPD5328	Approved
0.8333	Intermediate Similarity	NPD3618	Phase 1
0.8125	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD5222	Approved
0.8125	Intermediate Similarity	NPD5221	Approved
0.8085	Intermediate Similarity	NPD7515	Phase 2
0.8081	Intermediate Similarity	NPD5211	Phase 2
0.8061	Intermediate Similarity	NPD4696	Approved
0.8061	Intermediate Similarity	NPD5285	Approved
0.8061	Intermediate Similarity	NPD5286	Approved
0.8041	Intermediate Similarity	NPD5173	Approved
0.8041	Intermediate Similarity	NPD4755	Approved
0.8	Intermediate Similarity	NPD4202	Approved
0.798	Intermediate Similarity	NPD5223	Approved
0.7938	Intermediate Similarity	NPD4697	Phase 3
0.7921	Intermediate Similarity	NPD5141	Approved
0.7917	Intermediate Similarity	NPD7748	Approved
0.7912	Intermediate Similarity	NPD3665	Phase 1
0.7912	Intermediate Similarity	NPD4786	Approved
0.7912	Intermediate Similarity	NPD3666	Approved
0.7912	Intermediate Similarity	NPD3133	Approved
0.79	Intermediate Similarity	NPD5225	Approved
0.79	Intermediate Similarity	NPD4633	Approved
0.79	Intermediate Similarity	NPD5224	Approved
0.79	Intermediate Similarity	NPD5226	Approved
0.7889	Intermediate Similarity	NPD3667	Approved
0.7879	Intermediate Similarity	NPD4700	Approved
0.7864	Intermediate Similarity	NPD6899	Approved
0.7864	Intermediate Similarity	NPD6881	Approved
0.7849	Intermediate Similarity	NPD3573	Approved
0.7843	Intermediate Similarity	NPD5739	Approved
0.7843	Intermediate Similarity	NPD7128	Approved
0.7843	Intermediate Similarity	NPD6675	Approved
0.7843	Intermediate Similarity	NPD6402	Approved
0.7822	Intermediate Similarity	NPD5174	Approved
0.7822	Intermediate Similarity	NPD5175	Approved
0.7778	Intermediate Similarity	NPD7638	Approved
0.7767	Intermediate Similarity	NPD5697	Approved
0.7714	Intermediate Similarity	NPD6883	Approved
0.7714	Intermediate Similarity	NPD7102	Approved
0.7714	Intermediate Similarity	NPD7290	Approved
0.77	Intermediate Similarity	NPD7640	Approved
0.77	Intermediate Similarity	NPD7639	Approved
0.7692	Intermediate Similarity	NPD6011	Approved
0.7692	Intermediate Similarity	NPD7320	Approved
0.7677	Intermediate Similarity	NPD7902	Approved
0.7667	Intermediate Similarity	NPD4695	Discontinued
0.7647	Intermediate Similarity	NPD4754	Approved
0.7642	Intermediate Similarity	NPD8130	Phase 1
0.7642	Intermediate Similarity	NPD6650	Approved
0.7642	Intermediate Similarity	NPD6617	Approved
0.7642	Intermediate Similarity	NPD6869	Approved
0.7642	Intermediate Similarity	NPD6847	Approved
0.7642	Intermediate Similarity	NPD6649	Approved
0.7619	Intermediate Similarity	NPD6372	Approved
0.7619	Intermediate Similarity	NPD6012	Approved
0.7619	Intermediate Similarity	NPD6013	Approved
0.7619	Intermediate Similarity	NPD6014	Approved
0.7619	Intermediate Similarity	NPD6373	Approved
0.7615	Intermediate Similarity	NPD7115	Discovery
0.7596	Intermediate Similarity	NPD5701	Approved
0.757	Intermediate Similarity	NPD8297	Approved
0.757	Intermediate Similarity	NPD6882	Approved
0.7553	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7553	Intermediate Similarity	NPD5279	Phase 3
0.7553	Intermediate Similarity	NPD4623	Approved
0.7553	Intermediate Similarity	NPD4519	Discontinued
0.7524	Intermediate Similarity	NPD4730	Approved
0.7524	Intermediate Similarity	NPD4729	Approved
0.7524	Intermediate Similarity	NPD5128	Approved
0.75	Intermediate Similarity	NPD4753	Phase 2
0.75	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4221	Approved
0.75	Intermediate Similarity	NPD4223	Phase 3
0.75	Intermediate Similarity	NPD4768	Approved
0.75	Intermediate Similarity	NPD4767	Approved
0.7477	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD1694	Approved
0.7447	Intermediate Similarity	NPD5329	Approved
0.7426	Intermediate Similarity	NPD4225	Approved
0.7383	Intermediate Similarity	NPD5250	Approved
0.7383	Intermediate Similarity	NPD5249	Phase 3
0.7383	Intermediate Similarity	NPD5134	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD5248	Approved
0.7383	Intermediate Similarity	NPD4634	Approved
0.7383	Intermediate Similarity	NPD5135	Approved
0.7383	Intermediate Similarity	NPD5251	Approved
0.7383	Intermediate Similarity	NPD5247	Approved
0.7383	Intermediate Similarity	NPD5169	Approved
0.7374	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD7900	Approved
0.7368	Intermediate Similarity	NPD6684	Approved
0.7368	Intermediate Similarity	NPD7146	Approved
0.7368	Intermediate Similarity	NPD5330	Approved
0.7368	Intermediate Similarity	NPD7334	Approved
0.7368	Intermediate Similarity	NPD7521	Approved
0.7368	Intermediate Similarity	NPD6409	Approved
0.7363	Intermediate Similarity	NPD7645	Phase 2
0.7358	Intermediate Similarity	NPD5168	Approved
0.734	Intermediate Similarity	NPD4197	Approved
0.7339	Intermediate Similarity	NPD4632	Approved
0.7327	Intermediate Similarity	NPD6084	Phase 2
0.7327	Intermediate Similarity	NPD6083	Phase 2
0.7315	Intermediate Similarity	NPD5215	Approved
0.7315	Intermediate Similarity	NPD5127	Approved
0.7315	Intermediate Similarity	NPD5217	Approved
0.7315	Intermediate Similarity	NPD5216	Approved
0.73	Intermediate Similarity	NPD4629	Approved
0.73	Intermediate Similarity	NPD5210	Approved
0.7273	Intermediate Similarity	NPD6399	Phase 3
0.7234	Intermediate Similarity	NPD4788	Approved
0.7232	Intermediate Similarity	NPD6335	Approved
0.7216	Intermediate Similarity	NPD6903	Approved
0.7216	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD6274	Approved
0.7207	Intermediate Similarity	NPD6868	Approved
0.7196	Intermediate Similarity	NPD6686	Approved
0.7188	Intermediate Similarity	NPD4138	Approved
0.7188	Intermediate Similarity	NPD4688	Approved
0.7188	Intermediate Similarity	NPD4693	Phase 3
0.7188	Intermediate Similarity	NPD4690	Approved
0.7188	Intermediate Similarity	NPD4689	Approved
0.7188	Intermediate Similarity	NPD5690	Phase 2
0.7188	Intermediate Similarity	NPD5205	Approved
0.7176	Intermediate Similarity	NPD7331	Phase 2
0.7172	Intermediate Similarity	NPD6411	Approved
0.7168	Intermediate Similarity	NPD7100	Approved
0.7168	Intermediate Similarity	NPD7101	Approved
0.7158	Intermediate Similarity	NPD3668	Phase 3
0.7143	Intermediate Similarity	NPD6009	Approved
0.7143	Intermediate Similarity	NPD6317	Approved
0.713	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD5167	Approved
0.7105	Intermediate Similarity	NPD6054	Approved
0.7097	Intermediate Similarity	NPD7525	Registered
0.7083	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD1696	Phase 3
0.708	Intermediate Similarity	NPD6314	Approved
0.708	Intermediate Similarity	NPD6313	Approved
0.7065	Intermediate Similarity	NPD3617	Approved
0.7059	Intermediate Similarity	NPD7341	Phase 2
0.7048	Intermediate Similarity	NPD7632	Discontinued
0.7041	Intermediate Similarity	NPD6672	Approved
0.7041	Intermediate Similarity	NPD5737	Approved
0.701	Intermediate Similarity	NPD5280	Approved
0.701	Intermediate Similarity	NPD4694	Approved
0.7009	Intermediate Similarity	NPD6008	Approved
0.7	Intermediate Similarity	NPD5693	Phase 1
0.6989	Remote Similarity	NPD4195	Approved
0.6983	Remote Similarity	NPD6370	Approved
0.697	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.697	Remote Similarity	NPD6101	Approved
0.6961	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD5695	Phase 3
0.6957	Remote Similarity	NPD6319	Approved
0.6957	Remote Similarity	NPD6059	Approved
0.6949	Remote Similarity	NPD7507	Approved
0.6931	Remote Similarity	NPD5779	Approved
0.6931	Remote Similarity	NPD5778	Approved
0.6923	Remote Similarity	NPD7604	Phase 2
0.6923	Remote Similarity	NPD5696	Approved
0.6923	Remote Similarity	NPD7339	Approved
0.6923	Remote Similarity	NPD6942	Approved
0.6915	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.69	Remote Similarity	NPD5785	Approved
0.6897	Remote Similarity	NPD5983	Phase 2
0.6897	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD6015	Approved
0.6897	Remote Similarity	NPD6908	Approved
0.6897	Remote Similarity	NPD6016	Approved
0.6897	Remote Similarity	NPD6909	Approved
0.6881	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD7492	Approved
0.6854	Remote Similarity	NPD4691	Approved
0.6848	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD5988	Approved
0.6807	Remote Similarity	NPD6336	Discontinued
0.6807	Remote Similarity	NPD6616	Approved
0.68	Remote Similarity	NPD6080	Approved
0.68	Remote Similarity	NPD6673	Approved
0.68	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6904	Approved
0.6796	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD6412	Phase 2
0.6786	Remote Similarity	NPD6053	Discontinued
0.6777	Remote Similarity	NPD7319	Approved
0.6762	Remote Similarity	NPD5290	Discontinued
0.675	Remote Similarity	NPD7078	Approved
0.6742	Remote Similarity	NPD4137	Phase 3
0.6739	Remote Similarity	NPD3703	Phase 2
0.6739	Remote Similarity	NPD8264	Approved
0.6733	Remote Similarity	NPD4096	Approved
0.6731	Remote Similarity	NPD7614	Phase 1
0.67	Remote Similarity	NPD5208	Approved
0.6699	Remote Similarity	NPD6001	Approved
0.6694	Remote Similarity	NPD7736	Approved
0.6667	Remote Similarity	NPD8035	Phase 2
0.6667	Remote Similarity	NPD5284	Approved

Structure

NPC472975 OpenBabel07101719522D 24 26 0 0 1 0 0 0 0 0999 V2000 -4.6888 -4.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0158 -4.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1269 -1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 -3.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 2 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 -0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 -2.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 20 1 6 0 0 0 16 22 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 6 0 0 0 18 19 1 0 0 0 0 18 23 1 6 0 0 0 20 5 1 6 0 0 0 21 13 1 1 0 0 0 21 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3594339
ZINC

Physicochemical Properties

Molecular Weight:	334.25
ALogP:	0.9789
MLogP:	3.44
XLogP:	3.309
# Rotatable Bonds:	9
Polar Surface Area:	46.53
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	24

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