NPASS Natural Product

Natural Product: NPC472310

Natural Product ID:	NPC472310
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C19H28O4
Standard InCHIKey:	JXAZJMNWYRAJEF-GHKKNHRNSA-N
Standard InCHI:	InChI=1S/C19H28O4/c1-17-6-3-7-18(2,16(22)23)14(17)8-15(21)19-9-11(12(20)10-19)4-5-13(17)19/h11-14,20H,3-10H2,1-2H3,(H,22,23)/t11-,12-,13+,14+,17+,18-,19-/m1/s1
Canonical SMILES:	O[C@@H]1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2=O)[C@@](C)(CCC1)C(=O)O)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
NPO29744	Acanthopanax gracilistylus	NA	NA	NA	Root barks			PMID[25338180]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT927	Cell Line	PBMC	Homo sapiens	IC50	>	10000	nM	19245261
NPT927	Cell Line	PBMC	Homo sapiens	IC50	=	4	nM	20594848
NPT927	Cell Line	PBMC	Homo sapiens	IC50	=	20	nM	25333996

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 NPC472310 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	191
0.1-0.2	1880
0.2-0.3	7360
0.3-0.4	9862
0.4-0.5	4373
0.5-0.6	4543
0.6-0.7	2111
0.7-0.8	492
0.8-0.85	68
0.85-0.9	8
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9189	High Similarity	NPC472311
0.8831	High Similarity	NPC185465
0.8784	High Similarity	NPC472309
0.875	High Similarity	NPC472847
0.8718	High Similarity	NPC320144
0.8625	High Similarity	NPC30583
0.8553	High Similarity	NPC133922
0.8514	High Similarity	NPC321732
0.8514	High Similarity	NPC324607
0.8462	Intermediate Similarity	NPC180199
0.8462	Intermediate Similarity	NPC477919
0.8442	Intermediate Similarity	NPC125767
0.8442	Intermediate Similarity	NPC21220
0.8421	Intermediate Similarity	NPC310766
0.8395	Intermediate Similarity	NPC317066
0.8395	Intermediate Similarity	NPC328007
0.8378	Intermediate Similarity	NPC470956
0.8354	Intermediate Similarity	NPC476732
0.8354	Intermediate Similarity	NPC199965
0.8333	Intermediate Similarity	NPC472487
0.8333	Intermediate Similarity	NPC4209
0.8333	Intermediate Similarity	NPC472486
0.8333	Intermediate Similarity	NPC471046
0.8312	Intermediate Similarity	NPC280026
0.8312	Intermediate Similarity	NPC167702
0.8267	Intermediate Similarity	NPC319671
0.8267	Intermediate Similarity	NPC469941
0.8267	Intermediate Similarity	NPC476734
0.8267	Intermediate Similarity	NPC252032
0.8228	Intermediate Similarity	NPC474404
0.8228	Intermediate Similarity	NPC207010
0.8228	Intermediate Similarity	NPC317913
0.8219	Intermediate Similarity	NPC469791
0.8214	Intermediate Similarity	NPC472272
0.8205	Intermediate Similarity	NPC212733
0.8205	Intermediate Similarity	NPC179858
0.8171	Intermediate Similarity	NPC61107
0.8171	Intermediate Similarity	NPC289486
0.8158	Intermediate Similarity	NPC477929
0.8158	Intermediate Similarity	NPC477850
0.8148	Intermediate Similarity	NPC472853
0.8148	Intermediate Similarity	NPC477851
0.8148	Intermediate Similarity	NPC470609
0.8125	Intermediate Similarity	NPC80089
0.8125	Intermediate Similarity	NPC324700
0.8125	Intermediate Similarity	NPC171426
0.8125	Intermediate Similarity	NPC34046
0.8125	Intermediate Similarity	NPC224802
0.8108	Intermediate Similarity	NPC268736
0.8108	Intermediate Similarity	NPC477931
0.8095	Intermediate Similarity	NPC62572
0.8077	Intermediate Similarity	NPC472854
0.8077	Intermediate Similarity	NPC477930
0.8072	Intermediate Similarity	NPC472498
0.8072	Intermediate Similarity	NPC327451
0.8072	Intermediate Similarity	NPC259173
0.8068	Intermediate Similarity	NPC476189
0.8052	Intermediate Similarity	NPC469940
0.8052	Intermediate Similarity	NPC89310
0.8052	Intermediate Similarity	NPC320549
0.8052	Intermediate Similarity	NPC151018
0.8052	Intermediate Similarity	NPC156277
0.8052	Intermediate Similarity	NPC58057
0.8046	Intermediate Similarity	NPC476296
0.8026	Intermediate Similarity	NPC64466
0.8026	Intermediate Similarity	NPC327728
0.8026	Intermediate Similarity	NPC131892
0.8026	Intermediate Similarity	NPC213178
0.8026	Intermediate Similarity	NPC6120
0.8025	Intermediate Similarity	NPC201276
0.8025	Intermediate Similarity	NPC80891
0.8	Intermediate Similarity	NPC120395
0.8	Intermediate Similarity	NPC248216
0.8	Intermediate Similarity	NPC477918
0.8	Intermediate Similarity	NPC298168
0.8	Intermediate Similarity	NPC143133
0.8	Intermediate Similarity	NPC221420
0.7978	Intermediate Similarity	NPC470423
0.7975	Intermediate Similarity	NPC132064
0.7975	Intermediate Similarity	NPC159789
0.7955	Intermediate Similarity	NPC52756
0.7952	Intermediate Similarity	NPC477935
0.7952	Intermediate Similarity	NPC170985
0.7949	Intermediate Similarity	NPC232112
0.7922	Intermediate Similarity	NPC108131
0.7922	Intermediate Similarity	NPC476731
0.7901	Intermediate Similarity	NPC329117
0.7895	Intermediate Similarity	NPC474954
0.7889	Intermediate Similarity	NPC241156
0.7875	Intermediate Similarity	NPC477932
0.7875	Intermediate Similarity	NPC5767
0.7875	Intermediate Similarity	NPC477933
0.7875	Intermediate Similarity	NPC475742
0.7867	Intermediate Similarity	NPC42060
0.7857	Intermediate Similarity	NPC245866
0.7849	Intermediate Similarity	NPC295276
0.7848	Intermediate Similarity	NPC254340
0.7841	Intermediate Similarity	NPC77756
0.7831	Intermediate Similarity	NPC58631
0.7831	Intermediate Similarity	NPC12933
0.7831	Intermediate Similarity	NPC469745
0.7821	Intermediate Similarity	NPC473267
0.7816	Intermediate Similarity	NPC236459
0.7802	Intermediate Similarity	NPC125622
0.7792	Intermediate Similarity	NPC196197
0.7792	Intermediate Similarity	NPC474962
0.7791	Intermediate Similarity	NPC476726
0.7791	Intermediate Similarity	NPC92139
0.7791	Intermediate Similarity	NPC80590
0.7791	Intermediate Similarity	NPC476727
0.7791	Intermediate Similarity	NPC302111
0.7778	Intermediate Similarity	NPC23884
0.7778	Intermediate Similarity	NPC169389
0.7778	Intermediate Similarity	NPC264602
0.7765	Intermediate Similarity	NPC473336
0.7765	Intermediate Similarity	NPC471044
0.7765	Intermediate Similarity	NPC263974
0.7763	Intermediate Similarity	NPC474221
0.7763	Intermediate Similarity	NPC130459
0.7763	Intermediate Similarity	NPC478180
0.7753	Intermediate Similarity	NPC250753
0.775	Intermediate Similarity	NPC174964
0.775	Intermediate Similarity	NPC273366
0.775	Intermediate Similarity	NPC97534
0.775	Intermediate Similarity	NPC27349
0.775	Intermediate Similarity	NPC195155
0.775	Intermediate Similarity	NPC24014
0.775	Intermediate Similarity	NPC477934
0.7738	Intermediate Similarity	NPC477936
0.7738	Intermediate Similarity	NPC121121
0.7727	Intermediate Similarity	NPC200580
0.7711	Intermediate Similarity	NPC261616
0.7701	Intermediate Similarity	NPC472497
0.7701	Intermediate Similarity	NPC472495
0.7701	Intermediate Similarity	NPC134197
0.7692	Intermediate Similarity	NPC470031
0.7692	Intermediate Similarity	NPC266431
0.7683	Intermediate Similarity	NPC472608
0.7683	Intermediate Similarity	NPC26029
0.7674	Intermediate Similarity	NPC473350
0.7667	Intermediate Similarity	NPC294263
0.7667	Intermediate Similarity	NPC472237
0.7667	Intermediate Similarity	NPC244356
0.7667	Intermediate Similarity	NPC224060
0.7667	Intermediate Similarity	NPC472238
0.7667	Intermediate Similarity	NPC82138
0.7667	Intermediate Similarity	NPC161035
0.7667	Intermediate Similarity	NPC25750
0.7647	Intermediate Similarity	NPC118800
0.764	Intermediate Similarity	NPC100313
0.7625	Intermediate Similarity	NPC317212
0.7619	Intermediate Similarity	NPC476071
0.7614	Intermediate Similarity	NPC474719
0.7614	Intermediate Similarity	NPC211162
0.7614	Intermediate Similarity	NPC183374
0.7614	Intermediate Similarity	NPC90676
0.7609	Intermediate Similarity	NPC13949
0.7609	Intermediate Similarity	NPC470387
0.7595	Intermediate Similarity	NPC290058
0.7586	Intermediate Similarity	NPC70661
0.7586	Intermediate Similarity	NPC472505
0.7582	Intermediate Similarity	NPC309127
0.7582	Intermediate Similarity	NPC247877
0.7582	Intermediate Similarity	NPC206878
0.7582	Intermediate Similarity	NPC470424
0.7564	Intermediate Similarity	NPC295788
0.7561	Intermediate Similarity	NPC475031
0.7558	Intermediate Similarity	NPC237938
0.7558	Intermediate Similarity	NPC146683
0.7558	Intermediate Similarity	NPC50438
0.7558	Intermediate Similarity	NPC219535
0.7558	Intermediate Similarity	NPC319909
0.7556	Intermediate Similarity	NPC154101
0.7556	Intermediate Similarity	NPC211403
0.7556	Intermediate Similarity	NPC198242
0.7532	Intermediate Similarity	NPC472984
0.7529	Intermediate Similarity	NPC46881
0.7529	Intermediate Similarity	NPC268040
0.7528	Intermediate Similarity	NPC116146
0.7528	Intermediate Similarity	NPC471459
0.7528	Intermediate Similarity	NPC67653
0.7528	Intermediate Similarity	NPC24705
0.7528	Intermediate Similarity	NPC54689
0.7528	Intermediate Similarity	NPC24772
0.7528	Intermediate Similarity	NPC56962
0.7527	Intermediate Similarity	NPC471241
0.75	Intermediate Similarity	NPC62407
0.75	Intermediate Similarity	NPC216114
0.75	Intermediate Similarity	NPC470920
0.75	Intermediate Similarity	NPC98639
0.75	Intermediate Similarity	NPC153604
0.75	Intermediate Similarity	NPC174619
0.75	Intermediate Similarity	NPC287354
0.75	Intermediate Similarity	NPC239938
0.75	Intermediate Similarity	NPC37646
0.75	Intermediate Similarity	NPC469599
0.75	Intermediate Similarity	NPC255809
0.7474	Intermediate Similarity	NPC253886
0.7474	Intermediate Similarity	NPC121218
0.7473	Intermediate Similarity	NPC472496

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472310 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	260
0.1-0.2	3015
0.2-0.3	3789
0.3-0.4	1339
0.4-0.5	333
0.5-0.6	223
0.6-0.7	173
0.7-0.8	11
0.8-0.85	16
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8533	High Similarity	NPD6081	Approved
0.8514	High Similarity	NPD3698	Phase 2
0.84	Intermediate Similarity	NPD4245	Approved
0.84	Intermediate Similarity	NPD4244	Approved
0.8356	Intermediate Similarity	NPD4224	Phase 2
0.8333	Intermediate Similarity	NPD6117	Approved
0.8312	Intermediate Similarity	NPD6113	Clinical (unspecified phase)
0.8228	Intermediate Similarity	NPD6116	Phase 1
0.8205	Intermediate Similarity	NPD3702	Approved
0.8125	Intermediate Similarity	NPD6697	Approved
0.8125	Intermediate Similarity	NPD6114	Approved
0.8125	Intermediate Similarity	NPD6115	Approved
0.8125	Intermediate Similarity	NPD6118	Approved
0.8052	Intermediate Similarity	NPD4809	Clinical (unspecified phase)
0.8052	Intermediate Similarity	NPD5777	Approved
0.8052	Intermediate Similarity	NPD4808	Clinical (unspecified phase)
0.8026	Intermediate Similarity	NPD3699	Clinical (unspecified phase)
0.8026	Intermediate Similarity	NPD3700	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD3703	Phase 2
0.7973	Intermediate Similarity	NPD3171	Clinical (unspecified phase)
0.7922	Intermediate Similarity	NPD4789	Approved
0.7436	Intermediate Similarity	NPD5361	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD5360	Phase 3
0.7273	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD3671	Phase 1
0.7241	Intermediate Similarity	NPD4788	Approved
0.716	Intermediate Similarity	NPD4758	Discontinued
0.7083	Intermediate Similarity	NPD5696	Approved
0.7067	Intermediate Similarity	NPD3198	Approved
0.6989	Remote Similarity	NPD8035	Phase 2
0.6989	Remote Similarity	NPD8034	Phase 2
0.6966	Remote Similarity	NPD3665	Phase 1
0.6966	Remote Similarity	NPD3666	Approved
0.6966	Remote Similarity	NPD3133	Approved
0.6947	Remote Similarity	NPD4629	Approved
0.6947	Remote Similarity	NPD5210	Approved
0.6915	Remote Similarity	NPD6399	Phase 3
0.686	Remote Similarity	NPD5364	Discontinued
0.6832	Remote Similarity	NPD6675	Approved
0.6832	Remote Similarity	NPD7128	Approved
0.6832	Remote Similarity	NPD5739	Approved
0.6832	Remote Similarity	NPD6402	Approved
0.6829	Remote Similarity	NPD4787	Phase 1
0.6804	Remote Similarity	NPD4755	Approved
0.6804	Remote Similarity	NPD6084	Phase 2
0.6804	Remote Similarity	NPD6083	Phase 2
0.6796	Remote Similarity	NPD6373	Approved
0.6796	Remote Similarity	NPD6372	Approved
0.6778	Remote Similarity	NPD4786	Approved
0.6774	Remote Similarity	NPD4753	Phase 2
0.6774	Remote Similarity	NPD5328	Approved
0.6765	Remote Similarity	NPD5697	Approved
0.6765	Remote Similarity	NPD5701	Approved
0.6742	Remote Similarity	NPD3667	Approved
0.6733	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD4697	Phase 3
0.6699	Remote Similarity	NPD7320	Approved
0.6699	Remote Similarity	NPD6899	Approved
0.6699	Remote Similarity	NPD6881	Approved
0.6699	Remote Similarity	NPD6011	Approved
0.6667	Remote Similarity	NPD4700	Approved
0.6667	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6649	Approved
0.6667	Remote Similarity	NPD5286	Approved
0.6667	Remote Similarity	NPD6650	Approved
0.6667	Remote Similarity	NPD4696	Approved
0.6667	Remote Similarity	NPD5285	Approved
0.6635	Remote Similarity	NPD6013	Approved
0.6635	Remote Similarity	NPD6012	Approved
0.6635	Remote Similarity	NPD6014	Approved
0.6632	Remote Similarity	NPD7515	Phase 2
0.6632	Remote Similarity	NPD5284	Approved
0.6632	Remote Similarity	NPD6079	Approved
0.6632	Remote Similarity	NPD5281	Approved
0.663	Remote Similarity	NPD6684	Approved
0.663	Remote Similarity	NPD3618	Phase 1
0.663	Remote Similarity	NPD6409	Approved
0.663	Remote Similarity	NPD7334	Approved
0.663	Remote Similarity	NPD7146	Approved
0.663	Remote Similarity	NPD7521	Approved
0.663	Remote Similarity	NPD5330	Approved
0.6622	Remote Similarity	NPD615	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD3729	Clinical (unspecified phase)
0.66	Remote Similarity	NPD5223	Approved
0.6598	Remote Similarity	NPD5695	Phase 3
0.6571	Remote Similarity	NPD7102	Approved
0.6571	Remote Similarity	NPD7290	Approved
0.6571	Remote Similarity	NPD6883	Approved
0.6562	Remote Similarity	NPD4202	Approved
0.6556	Remote Similarity	NPD4221	Approved
0.6556	Remote Similarity	NPD4223	Phase 3
0.6535	Remote Similarity	NPD5224	Approved
0.6535	Remote Similarity	NPD5226	Approved
0.6535	Remote Similarity	NPD5225	Approved
0.6535	Remote Similarity	NPD4633	Approved
0.6535	Remote Similarity	NPD5211	Phase 2
0.6531	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6531	Remote Similarity	NPD5222	Approved
0.6531	Remote Similarity	NPD5221	Approved
0.6509	Remote Similarity	NPD6847	Approved
0.6509	Remote Similarity	NPD6617	Approved
0.6509	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD6869	Approved
0.6509	Remote Similarity	NPD8130	Phase 1
0.65	Remote Similarity	NPD7909	Approved
0.65	Remote Similarity	NPD8418	Phase 2
0.6489	Remote Similarity	NPD6903	Approved
0.6477	Remote Similarity	NPD4238	Approved
0.6477	Remote Similarity	NPD4802	Phase 2
0.6471	Remote Similarity	NPD5175	Approved
0.6471	Remote Similarity	NPD4754	Approved
0.6471	Remote Similarity	NPD5174	Approved
0.6465	Remote Similarity	NPD5173	Approved
0.6449	Remote Similarity	NPD6882	Approved
0.6449	Remote Similarity	NPD8297	Approved
0.6444	Remote Similarity	NPD4139	Approved
0.6444	Remote Similarity	NPD4692	Approved
0.6413	Remote Similarity	NPD4197	Approved
0.6408	Remote Similarity	NPD5141	Approved
0.6389	Remote Similarity	NPD4632	Approved
0.6346	Remote Similarity	NPD6008	Approved
0.6346	Remote Similarity	NPD4768	Approved
0.6346	Remote Similarity	NPD4767	Approved
0.6344	Remote Similarity	NPD5329	Approved
0.6333	Remote Similarity	NPD5368	Approved
0.6333	Remote Similarity	NPD6928	Phase 2
0.6327	Remote Similarity	NPD7748	Approved
0.6316	Remote Similarity	NPD5737	Approved
0.6316	Remote Similarity	NPD6672	Approved
0.63	Remote Similarity	NPD7902	Approved
0.6292	Remote Similarity	NPD3617	Approved
0.6277	Remote Similarity	NPD4690	Approved
0.6277	Remote Similarity	NPD5279	Phase 3
0.6277	Remote Similarity	NPD4688	Approved
0.6277	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6277	Remote Similarity	NPD6098	Approved
0.6277	Remote Similarity	NPD4693	Phase 3
0.6277	Remote Similarity	NPD5205	Approved
0.6277	Remote Similarity	NPD4138	Approved
0.6277	Remote Similarity	NPD4689	Approved
0.6275	Remote Similarity	NPD1700	Approved
0.6273	Remote Similarity	NPD6274	Approved
0.6263	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6673	Approved
0.625	Remote Similarity	NPD6904	Approved
0.625	Remote Similarity	NPD6080	Approved
0.6238	Remote Similarity	NPD7638	Approved
0.6237	Remote Similarity	NPD3668	Phase 3
0.6226	Remote Similarity	NPD4729	Approved
0.6226	Remote Similarity	NPD5128	Approved
0.6226	Remote Similarity	NPD4730	Approved
0.6216	Remote Similarity	NPD6317	Approved
0.6216	Remote Similarity	NPD6009	Approved
0.62	Remote Similarity	NPD7614	Phase 1
0.6196	Remote Similarity	NPD6435	Approved
0.619	Remote Similarity	NPD6920	Discontinued
0.6176	Remote Similarity	NPD7639	Approved
0.6176	Remote Similarity	NPD7640	Approved
0.6161	Remote Similarity	NPD6335	Approved
0.6161	Remote Similarity	NPD6313	Approved
0.6161	Remote Similarity	NPD6314	Approved
0.6146	Remote Similarity	NPD5208	Approved
0.614	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6122	Remote Similarity	NPD5693	Phase 1
0.6111	Remote Similarity	NPD5249	Phase 3
0.6111	Remote Similarity	NPD5247	Approved
0.6111	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6111	Remote Similarity	NPD4634	Approved
0.6111	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6111	Remote Similarity	NPD5248	Approved
0.6111	Remote Similarity	NPD5251	Approved
0.6111	Remote Similarity	NPD5250	Approved
0.6111	Remote Similarity	NPD5169	Approved
0.6111	Remote Similarity	NPD5135	Approved
0.6106	Remote Similarity	NPD7100	Approved
0.6106	Remote Similarity	NPD7101	Approved
0.6105	Remote Similarity	NPD5690	Phase 2
0.6105	Remote Similarity	NPD4694	Approved
0.6105	Remote Similarity	NPD5786	Approved
0.6105	Remote Similarity	NPD5280	Approved
0.6087	Remote Similarity	NPD5369	Approved
0.6082	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6075	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6067	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6058	Remote Similarity	NPD7632	Discontinued
0.6058	Remote Similarity	NPD5091	Approved
0.6055	Remote Similarity	NPD5217	Approved
0.6055	Remote Similarity	NPD5215	Approved
0.6055	Remote Similarity	NPD5216	Approved
0.6055	Remote Similarity	NPD5127	Approved
0.6053	Remote Similarity	NPD6319	Approved
0.6022	Remote Similarity	NPD4269	Approved
0.6022	Remote Similarity	NPD4270	Approved
0.602	Remote Similarity	NPD5207	Approved
0.602	Remote Similarity	NPD5692	Phase 3
0.6	Remote Similarity	NPD6908	Approved
0.6	Remote Similarity	NPD7900	Approved
0.6	Remote Similarity	NPD6909	Approved
0.6	Remote Similarity	NPD7901	Clinical (unspecified phase)

Structure

NPC472310 OpenBabel07101718192D 23 26 0 0 1 0 0 0 0 0999 V2000 -1.2321 1.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3997 -1.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4942 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7148 1.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3090 0.9511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6182 0.3693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2579 -0.7014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0108 -0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 -1.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 0.0187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8868 -1.0520 0.0000 C 0 0 1 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 2.2601 1.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -1.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 -2.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 -1.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 13 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 4 1 1 0 0 0 11 12 1 0 0 0 0 12 20 1 6 0 0 0 13 17 1 6 0 0 0 13 19 1 0 0 0 0 14 17 1 6 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 1 1 6 0 0 0 18 2 1 1 0 0 0 19 9 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3358084
ZINC

Physicochemical Properties

Molecular Weight:	320.20
ALogP:	-0.6412
MLogP:	3.11
XLogP:	2.476
# Rotatable Bonds:	5
Polar Surface Area:	74.6
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	23

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