NPASS Natural Product

Natural Product: NPC24014

Natural Product ID:	NPC24014
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H32O3
Standard InCHIKey:	ACIODAKBJVREKJ-KSLKBLKXSA-N
Standard InCHI:	InChI=1S/C20H32O3/c1-17(12-21)7-3-8-18(2)15(17)6-9-19-10-14(4-5-16(18)19)20(23,11-19)13-22/h12,14-16,22-23H,3-11,13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20-/m1/s1
Canonical SMILES:	OC[C@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)[C@](C)(C=O)CCC1)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
NPO6333	Annona glabra	Species	Annonaceae	Eukaryota	fruits			PMID[25499882]
NPO2884	Annona squamosa	Species	Annonaceae	Eukaryota				TCM_Taiwan*

Biological Activity

Activity Type	# Activity
IC50	1
Others	5

Activity Type	# Activity
Cell Line	2
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Inhibition	=	9.6	%	12398544
NPT2	Others	Unspecified		Inhibition	=	17.6	%	12398544
NPT2	Others	Unspecified		Inhibition	=	5.5	%	12398544
NPT2	Others	Unspecified		Inhibition	=	0	%	12398544
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	320	nM	25499882
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	90	%	25499882

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 NPC24014 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	182
0.1-0.2	1854
0.2-0.3	9515
0.3-0.4	8625
0.4-0.5	4181
0.5-0.6	4150
0.6-0.7	1955
0.7-0.8	347
0.8-0.85	61
0.85-0.9	13
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC27349
0.9571	High Similarity	NPC472854
0.9178	High Similarity	NPC477919
0.9178	High Similarity	NPC180199
0.9054	High Similarity	NPC199965
0.9054	High Similarity	NPC476732
0.8889	High Similarity	NPC310766
0.8732	High Similarity	NPC324607
0.8732	High Similarity	NPC321732
0.8696	High Similarity	NPC475943
0.8696	High Similarity	NPC190827
0.8696	High Similarity	NPC243469
0.8667	High Similarity	NPC264602
0.8611	High Similarity	NPC476731
0.8592	High Similarity	NPC478228
0.859	High Similarity	NPC477935
0.859	High Similarity	NPC317066
0.8571	High Similarity	NPC472853
0.8571	High Similarity	NPC470609
0.8493	Intermediate Similarity	NPC320549
0.8493	Intermediate Similarity	NPC58057
0.8493	Intermediate Similarity	NPC151018
0.8493	Intermediate Similarity	NPC156277
0.8472	Intermediate Similarity	NPC319671
0.8472	Intermediate Similarity	NPC469941
0.8472	Intermediate Similarity	NPC252032
0.8472	Intermediate Similarity	NPC64466
0.8472	Intermediate Similarity	NPC476734
0.8462	Intermediate Similarity	NPC77311
0.8451	Intermediate Similarity	NPC63190
0.8378	Intermediate Similarity	NPC232112
0.8356	Intermediate Similarity	NPC477929
0.8354	Intermediate Similarity	NPC477936
0.8333	Intermediate Similarity	NPC473225
0.8267	Intermediate Similarity	NPC280026
0.8267	Intermediate Similarity	NPC254340
0.8267	Intermediate Similarity	NPC167702
0.825	Intermediate Similarity	NPC259173
0.8243	Intermediate Similarity	NPC473267
0.8228	Intermediate Similarity	NPC12933
0.8219	Intermediate Similarity	NPC327728
0.8219	Intermediate Similarity	NPC6120
0.8219	Intermediate Similarity	NPC213178
0.8219	Intermediate Similarity	NPC131892
0.8205	Intermediate Similarity	NPC31302
0.8205	Intermediate Similarity	NPC245029
0.8182	Intermediate Similarity	NPC23884
0.8182	Intermediate Similarity	NPC475031
0.8182	Intermediate Similarity	NPC474404
0.8171	Intermediate Similarity	NPC472272
0.8171	Intermediate Similarity	NPC476726
0.8171	Intermediate Similarity	NPC476727
0.8171	Intermediate Similarity	NPC476730
0.8171	Intermediate Similarity	NPC474448
0.8158	Intermediate Similarity	NPC125767
0.8158	Intermediate Similarity	NPC273366
0.8158	Intermediate Similarity	NPC97534
0.8158	Intermediate Similarity	NPC212733
0.8158	Intermediate Similarity	NPC195155
0.8158	Intermediate Similarity	NPC174964
0.8158	Intermediate Similarity	NPC21220
0.8133	Intermediate Similarity	NPC81759
0.8125	Intermediate Similarity	NPC328007
0.8125	Intermediate Similarity	NPC268040
0.8108	Intermediate Similarity	NPC477850
0.8056	Intermediate Similarity	NPC42060
0.8052	Intermediate Similarity	NPC472486
0.8052	Intermediate Similarity	NPC475742
0.8052	Intermediate Similarity	NPC5767
0.8052	Intermediate Similarity	NPC4209
0.8052	Intermediate Similarity	NPC472487
0.8026	Intermediate Similarity	NPC477930
0.8025	Intermediate Similarity	NPC217559
0.8025	Intermediate Similarity	NPC292458
0.8025	Intermediate Similarity	NPC327451
0.8025	Intermediate Similarity	NPC268578
0.8025	Intermediate Similarity	NPC472744
0.8	Intermediate Similarity	NPC89310
0.8	Intermediate Similarity	NPC469940
0.8	Intermediate Similarity	NPC469745
0.7973	Intermediate Similarity	NPC196197
0.7949	Intermediate Similarity	NPC207010
0.7949	Intermediate Similarity	NPC317913
0.7949	Intermediate Similarity	NPC143133
0.7949	Intermediate Similarity	NPC298168
0.7949	Intermediate Similarity	NPC221420
0.7949	Intermediate Similarity	NPC171658
0.7922	Intermediate Similarity	NPC472311
0.7901	Intermediate Similarity	NPC121121
0.7895	Intermediate Similarity	NPC153719
0.7867	Intermediate Similarity	NPC108131
0.7848	Intermediate Similarity	NPC185465
0.7848	Intermediate Similarity	NPC80089
0.7848	Intermediate Similarity	NPC34046
0.7848	Intermediate Similarity	NPC224802
0.7848	Intermediate Similarity	NPC324700
0.7848	Intermediate Similarity	NPC171426
0.7838	Intermediate Similarity	NPC260319
0.7838	Intermediate Similarity	NPC180777
0.7838	Intermediate Similarity	NPC474954
0.7838	Intermediate Similarity	NPC2568
0.7838	Intermediate Similarity	NPC103647
0.7826	Intermediate Similarity	NPC476735
0.7821	Intermediate Similarity	NPC477933
0.7821	Intermediate Similarity	NPC477932
0.7808	Intermediate Similarity	NPC268736
0.7808	Intermediate Similarity	NPC477931
0.7805	Intermediate Similarity	NPC245866
0.7805	Intermediate Similarity	NPC175410
0.7792	Intermediate Similarity	NPC133922
0.7778	Intermediate Similarity	NPC159654
0.7778	Intermediate Similarity	NPC58631
0.7778	Intermediate Similarity	NPC167995
0.7778	Intermediate Similarity	NPC281540
0.7778	Intermediate Similarity	NPC164210
0.7778	Intermediate Similarity	NPC118937
0.775	Intermediate Similarity	NPC320144
0.775	Intermediate Similarity	NPC472310
0.775	Intermediate Similarity	NPC80891
0.775	Intermediate Similarity	NPC201459
0.775	Intermediate Similarity	NPC201276
0.775	Intermediate Similarity	NPC52951
0.7738	Intermediate Similarity	NPC80700
0.7738	Intermediate Similarity	NPC92139
0.7738	Intermediate Similarity	NPC472745
0.7733	Intermediate Similarity	NPC470830
0.7733	Intermediate Similarity	NPC299948
0.7733	Intermediate Similarity	NPC241085
0.7733	Intermediate Similarity	NPC107919
0.7733	Intermediate Similarity	NPC474962
0.7722	Intermediate Similarity	NPC477918
0.7711	Intermediate Similarity	NPC264665
0.7711	Intermediate Similarity	NPC74595
0.7703	Intermediate Similarity	NPC478180
0.7703	Intermediate Similarity	NPC474221
0.7703	Intermediate Similarity	NPC130459
0.7692	Intermediate Similarity	NPC317242
0.7692	Intermediate Similarity	NPC159789
0.7692	Intermediate Similarity	NPC477934
0.7683	Intermediate Similarity	NPC242771
0.7683	Intermediate Similarity	NPC100366
0.7683	Intermediate Similarity	NPC164289
0.7683	Intermediate Similarity	NPC311642
0.7683	Intermediate Similarity	NPC145143
0.7674	Intermediate Similarity	NPC116146
0.7674	Intermediate Similarity	NPC24772
0.7674	Intermediate Similarity	NPC476733
0.7674	Intermediate Similarity	NPC215029
0.7671	Intermediate Similarity	NPC472946
0.7662	Intermediate Similarity	NPC470610
0.7662	Intermediate Similarity	NPC474123
0.7647	Intermediate Similarity	NPC202937
0.7647	Intermediate Similarity	NPC263802
0.7639	Intermediate Similarity	NPC114891
0.7632	Intermediate Similarity	NPC231945
0.7625	Intermediate Similarity	NPC329117
0.7595	Intermediate Similarity	NPC470145
0.7595	Intermediate Similarity	NPC163597
0.759	Intermediate Similarity	NPC86370
0.7568	Intermediate Similarity	NPC44122
0.7564	Intermediate Similarity	NPC48795
0.7561	Intermediate Similarity	NPC103754
0.7561	Intermediate Similarity	NPC474484
0.7558	Intermediate Similarity	NPC33398
0.7532	Intermediate Similarity	NPC290058
0.7529	Intermediate Similarity	NPC98236
0.7529	Intermediate Similarity	NPC269396
0.7529	Intermediate Similarity	NPC80590
0.7528	Intermediate Similarity	NPC206878
0.7528	Intermediate Similarity	NPC470423
0.75	Intermediate Similarity	NPC474996
0.75	Intermediate Similarity	NPC66105
0.75	Intermediate Similarity	NPC192046
0.75	Intermediate Similarity	NPC105208
0.75	Intermediate Similarity	NPC71460
0.75	Intermediate Similarity	NPC149249
0.75	Intermediate Similarity	NPC50438
0.75	Intermediate Similarity	NPC477227
0.75	Intermediate Similarity	NPC302578
0.75	Intermediate Similarity	NPC477820
0.75	Intermediate Similarity	NPC106078
0.75	Intermediate Similarity	NPC99264
0.75	Intermediate Similarity	NPC148174
0.75	Intermediate Similarity	NPC128951
0.75	Intermediate Similarity	NPC82902
0.75	Intermediate Similarity	NPC263974
0.75	Intermediate Similarity	NPC218585
0.75	Intermediate Similarity	NPC185915
0.7471	Intermediate Similarity	NPC24705
0.7471	Intermediate Similarity	NPC56962
0.747	Intermediate Similarity	NPC61107
0.747	Intermediate Similarity	NPC148740
0.747	Intermediate Similarity	NPC30583
0.747	Intermediate Similarity	NPC102156
0.747	Intermediate Similarity	NPC46881
0.747	Intermediate Similarity	NPC477858
0.747	Intermediate Similarity	NPC170985
0.747	Intermediate Similarity	NPC289486
0.7468	Intermediate Similarity	NPC72444
0.7467	Intermediate Similarity	NPC48079

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC24014 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	262
0.1-0.2	3101
0.2-0.3	3985
0.3-0.4	1141
0.4-0.5	280
0.5-0.6	233
0.6-0.7	121
0.7-0.8	23
0.8-0.85	11
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8873	High Similarity	NPD4244	Approved
0.8873	High Similarity	NPD4245	Approved
0.8732	High Similarity	NPD3698	Phase 2
0.8611	High Similarity	NPD4789	Approved
0.8493	Intermediate Similarity	NPD4808	Clinical (unspecified phase)
0.8493	Intermediate Similarity	NPD4809	Clinical (unspecified phase)
0.8429	Intermediate Similarity	NPD3171	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD5361	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD5360	Phase 3
0.8267	Intermediate Similarity	NPD6113	Clinical (unspecified phase)
0.8219	Intermediate Similarity	NPD3700	Clinical (unspecified phase)
0.8219	Intermediate Similarity	NPD3699	Clinical (unspecified phase)
0.8158	Intermediate Similarity	NPD3702	Approved
0.8052	Intermediate Similarity	NPD6117	Approved
0.8025	Intermediate Similarity	NPD4788	Approved
0.7949	Intermediate Similarity	NPD6116	Phase 1
0.7848	Intermediate Similarity	NPD6697	Approved
0.7848	Intermediate Similarity	NPD6118	Approved
0.7848	Intermediate Similarity	NPD6115	Approved
0.7848	Intermediate Similarity	NPD6114	Approved
0.7808	Intermediate Similarity	NPD4224	Phase 2
0.7763	Intermediate Similarity	NPD6081	Approved
0.7763	Intermediate Similarity	NPD5777	Approved
0.7763	Intermediate Similarity	NPD4758	Discontinued
0.7733	Intermediate Similarity	NPD4267	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD3703	Phase 2
0.7632	Intermediate Similarity	NPD4787	Phase 1
0.7407	Intermediate Similarity	NPD5364	Discontinued
0.7407	Intermediate Similarity	NPD3671	Phase 1
0.7209	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD4786	Approved
0.7093	Intermediate Similarity	NPD3666	Approved
0.7093	Intermediate Similarity	NPD3133	Approved
0.7093	Intermediate Similarity	NPD3665	Phase 1
0.7079	Intermediate Similarity	NPD4753	Phase 2
0.7059	Intermediate Similarity	NPD4221	Approved
0.7059	Intermediate Similarity	NPD4223	Phase 3
0.7011	Intermediate Similarity	NPD5329	Approved
0.6986	Remote Similarity	NPD3198	Approved
0.6941	Remote Similarity	NPD4139	Approved
0.6941	Remote Similarity	NPD4692	Approved
0.6897	Remote Similarity	NPD4197	Approved
0.686	Remote Similarity	NPD3667	Approved
0.6848	Remote Similarity	NPD4202	Approved
0.6742	Remote Similarity	NPD4688	Approved
0.6742	Remote Similarity	NPD5205	Approved
0.6742	Remote Similarity	NPD4690	Approved
0.6742	Remote Similarity	NPD4689	Approved
0.6742	Remote Similarity	NPD4693	Phase 3
0.6742	Remote Similarity	NPD4138	Approved
0.6737	Remote Similarity	NPD6084	Phase 2
0.6737	Remote Similarity	NPD6083	Phase 2
0.6703	Remote Similarity	NPD5328	Approved
0.6702	Remote Similarity	NPD4629	Approved
0.6702	Remote Similarity	NPD5210	Approved
0.6667	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD6928	Phase 2
0.6588	Remote Similarity	NPD3617	Approved
0.6562	Remote Similarity	NPD4755	Approved
0.6559	Remote Similarity	NPD8034	Phase 2
0.6559	Remote Similarity	NPD6079	Approved
0.6559	Remote Similarity	NPD8035	Phase 2
0.6556	Remote Similarity	NPD5690	Phase 2
0.6556	Remote Similarity	NPD5280	Approved
0.6556	Remote Similarity	NPD3618	Phase 1
0.6556	Remote Similarity	NPD4694	Approved
0.65	Remote Similarity	NPD6705	Phase 1
0.6463	Remote Similarity	NPD4243	Approved
0.6458	Remote Similarity	NPD4697	Phase 3
0.6437	Remote Similarity	NPD7525	Registered
0.6429	Remote Similarity	NPD5286	Approved
0.6429	Remote Similarity	NPD5285	Approved
0.6429	Remote Similarity	NPD4700	Approved
0.6429	Remote Similarity	NPD4696	Approved
0.6413	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6374	Remote Similarity	NPD7146	Approved
0.6374	Remote Similarity	NPD6098	Approved
0.6374	Remote Similarity	NPD5279	Phase 3
0.6374	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6374	Remote Similarity	NPD6409	Approved
0.6374	Remote Similarity	NPD7521	Approved
0.6374	Remote Similarity	NPD5330	Approved
0.6374	Remote Similarity	NPD6684	Approved
0.6374	Remote Similarity	NPD7334	Approved
0.6364	Remote Similarity	NPD5223	Approved
0.6354	Remote Similarity	NPD5695	Phase 3
0.6353	Remote Similarity	NPD6933	Approved
0.6353	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD5696	Approved
0.6322	Remote Similarity	NPD4195	Approved
0.6316	Remote Similarity	NPD6399	Phase 3
0.631	Remote Similarity	NPD4785	Approved
0.631	Remote Similarity	NPD4784	Approved
0.63	Remote Similarity	NPD5225	Approved
0.63	Remote Similarity	NPD5226	Approved
0.63	Remote Similarity	NPD5224	Approved
0.63	Remote Similarity	NPD4633	Approved
0.63	Remote Similarity	NPD5211	Phase 2
0.6275	Remote Similarity	NPD6402	Approved
0.6275	Remote Similarity	NPD5739	Approved
0.6275	Remote Similarity	NPD7128	Approved
0.6275	Remote Similarity	NPD6675	Approved
0.6263	Remote Similarity	NPD8418	Phase 2
0.625	Remote Similarity	NPD4748	Discontinued
0.6238	Remote Similarity	NPD5175	Approved
0.6238	Remote Similarity	NPD4754	Approved
0.6238	Remote Similarity	NPD5174	Approved
0.6237	Remote Similarity	NPD6903	Approved
0.6235	Remote Similarity	NPD6942	Approved
0.6235	Remote Similarity	NPD7339	Approved
0.6214	Remote Similarity	NPD6412	Phase 2
0.6211	Remote Similarity	NPD5281	Approved
0.6211	Remote Similarity	NPD5284	Approved
0.619	Remote Similarity	NPD4634	Approved
0.6176	Remote Similarity	NPD5141	Approved
0.617	Remote Similarity	NPD6080	Approved
0.617	Remote Similarity	NPD6904	Approved
0.617	Remote Similarity	NPD6673	Approved
0.6154	Remote Similarity	NPD6881	Approved
0.6154	Remote Similarity	NPD3668	Phase 3
0.6154	Remote Similarity	NPD7320	Approved
0.6154	Remote Similarity	NPD6899	Approved
0.6146	Remote Similarity	NPD8171	Discontinued
0.6146	Remote Similarity	NPD5133	Approved
0.6122	Remote Similarity	NPD5222	Approved
0.6122	Remote Similarity	NPD5221	Approved
0.6122	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6118	Remote Similarity	NPD6924	Approved
0.6118	Remote Similarity	NPD6926	Approved
0.6117	Remote Similarity	NPD4768	Approved
0.6117	Remote Similarity	NPD4767	Approved
0.6117	Remote Similarity	NPD6920	Discontinued
0.6105	Remote Similarity	NPD4096	Approved
0.6095	Remote Similarity	NPD6373	Approved
0.6095	Remote Similarity	NPD6372	Approved
0.6081	Remote Similarity	NPD3729	Clinical (unspecified phase)
0.6075	Remote Similarity	NPD8297	Approved
0.6064	Remote Similarity	NPD6672	Approved
0.6064	Remote Similarity	NPD5208	Approved
0.6064	Remote Similarity	NPD5737	Approved
0.6061	Remote Similarity	NPD5173	Approved
0.6058	Remote Similarity	NPD5697	Approved
0.6058	Remote Similarity	NPD5701	Approved
0.6047	Remote Similarity	NPD4190	Phase 3
0.6047	Remote Similarity	NPD5275	Approved
0.6042	Remote Similarity	NPD7515	Phase 2
0.6038	Remote Similarity	NPD7102	Approved
0.6038	Remote Similarity	NPD6883	Approved
0.6038	Remote Similarity	NPD7290	Approved
0.602	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6019	Remote Similarity	NPD8133	Approved
0.6019	Remote Similarity	NPD4632	Approved
0.6	Remote Similarity	NPD5128	Approved
0.6	Remote Similarity	NPD6011	Approved
0.6	Remote Similarity	NPD7507	Approved
0.6	Remote Similarity	NPD4729	Approved
0.6	Remote Similarity	NPD7909	Approved
0.6	Remote Similarity	NPD4730	Approved
0.6	Remote Similarity	NPD7638	Approved
0.5981	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.5981	Remote Similarity	NPD8130	Phase 1
0.5981	Remote Similarity	NPD6650	Approved
0.5981	Remote Similarity	NPD6617	Approved
0.5981	Remote Similarity	NPD6847	Approved
0.5981	Remote Similarity	NPD6649	Approved
0.5981	Remote Similarity	NPD6869	Approved
0.5957	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.5943	Remote Similarity	NPD6012	Approved
0.5943	Remote Similarity	NPD6013	Approved
0.5943	Remote Similarity	NPD6014	Approved
0.5941	Remote Similarity	NPD7639	Approved
0.5941	Remote Similarity	NPD7640	Approved
0.5926	Remote Similarity	NPD6882	Approved
0.5895	Remote Similarity	NPD4518	Approved
0.5888	Remote Similarity	NPD5250	Approved
0.5888	Remote Similarity	NPD5248	Approved
0.5888	Remote Similarity	NPD5249	Phase 3
0.5888	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.5888	Remote Similarity	NPD5169	Approved
0.5888	Remote Similarity	NPD5135	Approved
0.5888	Remote Similarity	NPD5247	Approved
0.5888	Remote Similarity	NPD5251	Approved
0.5876	Remote Similarity	NPD6050	Approved
0.5876	Remote Similarity	NPD5693	Phase 1
0.5867	Remote Similarity	NPD615	Clinical (unspecified phase)
0.5851	Remote Similarity	NPD4519	Discontinued
0.5851	Remote Similarity	NPD4623	Approved
0.5849	Remote Similarity	NPD6415	Discontinued
0.5847	Remote Similarity	NPD7319	Approved
0.5843	Remote Similarity	NPD4238	Approved
0.5843	Remote Similarity	NPD4777	Suspended
0.5843	Remote Similarity	NPD4802	Phase 2
0.5843	Remote Similarity	NPD4776	Phase 2
0.5833	Remote Similarity	NPD5215	Approved
0.5833	Remote Similarity	NPD5217	Approved
0.5833	Remote Similarity	NPD5216	Approved
0.5833	Remote Similarity	NPD5127	Approved
0.5825	Remote Similarity	NPD5091	Approved
0.5825	Remote Similarity	NPD7632	Discontinued
0.5773	Remote Similarity	NPD5692	Phase 3

Structure

CID24014 OpenBabel06191715352D 23 26 0 0 1 0 0 0 0 0999 V2000 -1.8633 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5273 -0.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 1.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 -0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8818 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7189 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 -1.3228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5274 0.8818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7637 -0.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2910 1.3227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5273 -0.0000 0.0000 C 0 0 1 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 1.2047 -0.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5744 2.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 0.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 21 2 0 0 0 0 13 20 1 0 0 0 0 13 22 1 0 0 0 0 14 20 1 6 0 0 0 15 17 1 1 0 0 0 15 18 1 0 0 0 0 16 18 1 1 0 0 0 16 19 1 0 0 0 0 17 1 1 6 0 0 0 18 2 1 1 0 0 0 19 9 1 1 0 0 0 20 23 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	3001696
ChEMBL	CHEMBL522636
ZINC

Physicochemical Properties

Molecular Weight:	320.24
ALogP:	-0.4712
MLogP:	3.33
XLogP:	4.445
# Rotatable Bonds:	6
Polar Surface Area:	57.53
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	23

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