NPASS Natural Product

Natural Product: NPC470931

Natural Product ID:	NPC470931
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C23H25NO2
Standard InCHIKey:	YDUWCKHQORLZSO-QZMQVMSPSA-N
Standard InCHI:	InChI=1S/C23H25NO2/c1-12-9-15-14-6-5-13(25)10-18(14)24-20(15)19-16-11-23(4,26-21(12)19)8-7-17(16)22(24,2)3/h5-6,9-10,16-17,25H,7-8,11H2,1-4H3/t16-,17-,23+/m1/s1
Canonical SMILES:	Oc1ccc2c(c1)n1c3c2cc(c2c3[C@H]3[C@H](C1(C)C)CC[C@@](C3)(O2)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
NPO3364	Murraya koenigii	Species	Rutaceae	Eukaryota		Sri Lankan		PMID[23376010]

Biological Activity

Activity Type	# Activity
IC50	1
Others	13

Activity Type	# Activity
Individual Protein	5
Others	9

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	100.9	%	21524573
NPT2	Others	Unspecified		Inhibition	=	74.3	%	24913558
NPT2	Others	Unspecified		Inhibition	=	66	%	18597527
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	20.2	%	23999046
NPT2	Others	Unspecified		Activity	=	76.8	%	PubChem BioAssay data set
NPT2	Others	Unspecified		Inhibition	=	50.8	%	7964782
NPT2	Others	Unspecified		Activity	=	94.4	%	25136754
NPT2	Others	Unspecified		IC50	=	2900	nM	DrugMatrix in vitro pharmacology data
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	-0.6	%	22694318
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	3.5	%	19555124
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	-1.3	%	16499324
NPT2	Others	Unspecified		Inhibition	=	26.9	%	23993676
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Inhibition	=	15.3	%	15974620
NPT2	Others	Unspecified		Activity	=	71.1	%	17190450

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 NPC470931 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	480
0.1-0.2	1799
0.2-0.3	8207
0.3-0.4	4421
0.4-0.5	10358
0.5-0.6	3957
0.6-0.7	1354
0.7-0.8	275
0.8-0.85	25
0.85-0.9	12
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.962	High Similarity	NPC11017
0.8953	High Similarity	NPC267423
0.8906	High Similarity	NPC475085
0.8906	High Similarity	NPC475112
0.8906	High Similarity	NPC291535
0.8693	High Similarity	NPC48353
0.8646	High Similarity	NPC243834
0.8646	High Similarity	NPC70956
0.8601	High Similarity	NPC72211
0.8594	High Similarity	NPC70259
0.8579	High Similarity	NPC476106
0.8542	High Similarity	NPC43787
0.8542	High Similarity	NPC205934
0.8477	Intermediate Similarity	NPC162484
0.8469	Intermediate Similarity	NPC476044
0.845	Intermediate Similarity	NPC209769
0.845	Intermediate Similarity	NPC201697
0.8447	Intermediate Similarity	NPC477532
0.8442	Intermediate Similarity	NPC193777
0.8438	Intermediate Similarity	NPC280964
0.8438	Intermediate Similarity	NPC141915
0.8438	Intermediate Similarity	NPC114335
0.8381	Intermediate Similarity	NPC252251
0.8341	Intermediate Similarity	NPC209174
0.8302	Intermediate Similarity	NPC477531
0.8221	Intermediate Similarity	NPC477533
0.822	Intermediate Similarity	NPC94943
0.8173	Intermediate Similarity	NPC473179
0.8168	Intermediate Similarity	NPC190007
0.8163	Intermediate Similarity	NPC131017
0.8159	Intermediate Similarity	NPC470930
0.8115	Intermediate Similarity	NPC212535
0.8109	Intermediate Similarity	NPC469440
0.8081	Intermediate Similarity	NPC153042
0.8075	Intermediate Similarity	NPC473185
0.8042	Intermediate Similarity	NPC288943
0.8039	Intermediate Similarity	NPC475910
0.8	Intermediate Similarity	NPC283152
0.7981	Intermediate Similarity	NPC473449
0.798	Intermediate Similarity	NPC164374
0.798	Intermediate Similarity	NPC137929
0.7963	Intermediate Similarity	NPC475253
0.796	Intermediate Similarity	NPC329747
0.7949	Intermediate Similarity	NPC66083
0.7919	Intermediate Similarity	NPC469390
0.7913	Intermediate Similarity	NPC469589
0.7897	Intermediate Similarity	NPC61350
0.7887	Intermediate Similarity	NPC62069
0.7885	Intermediate Similarity	NPC112206
0.7885	Intermediate Similarity	NPC202605
0.786	Intermediate Similarity	NPC202503
0.7854	Intermediate Similarity	NPC277351
0.7854	Intermediate Similarity	NPC472111
0.7843	Intermediate Similarity	NPC223427
0.7808	Intermediate Similarity	NPC473182
0.7794	Intermediate Similarity	NPC199277
0.7794	Intermediate Similarity	NPC135887
0.7793	Intermediate Similarity	NPC150239
0.7788	Intermediate Similarity	NPC11464
0.7784	Intermediate Similarity	NPC26850
0.7783	Intermediate Similarity	NPC6786
0.7783	Intermediate Similarity	NPC473183
0.7778	Intermediate Similarity	NPC200888
0.7773	Intermediate Similarity	NPC473184
0.7757	Intermediate Similarity	NPC198503
0.7727	Intermediate Similarity	NPC246700
0.7721	Intermediate Similarity	NPC280272
0.7718	Intermediate Similarity	NPC16452
0.7718	Intermediate Similarity	NPC36229
0.7718	Intermediate Similarity	NPC476581
0.7716	Intermediate Similarity	NPC204385
0.7714	Intermediate Similarity	NPC264176
0.7708	Intermediate Similarity	NPC312872
0.7706	Intermediate Similarity	NPC476997
0.77	Intermediate Similarity	NPC247803
0.7689	Intermediate Similarity	NPC183407
0.7678	Intermediate Similarity	NPC469592
0.7678	Intermediate Similarity	NPC471080
0.7678	Intermediate Similarity	NPC478074
0.7671	Intermediate Similarity	NPC476998
0.7671	Intermediate Similarity	NPC476996
0.7667	Intermediate Similarity	NPC87413
0.7664	Intermediate Similarity	NPC213530
0.7664	Intermediate Similarity	NPC193267
0.7662	Intermediate Similarity	NPC279401
0.7662	Intermediate Similarity	NPC79293
0.7656	Intermediate Similarity	NPC474409
0.7647	Intermediate Similarity	NPC128823
0.7639	Intermediate Similarity	NPC162748
0.7639	Intermediate Similarity	NPC118121
0.7638	Intermediate Similarity	NPC128751
0.7633	Intermediate Similarity	NPC285558
0.763	Intermediate Similarity	NPC53069
0.763	Intermediate Similarity	NPC296482
0.763	Intermediate Similarity	NPC202768
0.7626	Intermediate Similarity	NPC476994
0.7622	Intermediate Similarity	NPC26872
0.7617	Intermediate Similarity	NPC469594
0.7617	Intermediate Similarity	NPC100079
0.7617	Intermediate Similarity	NPC23614
0.7614	Intermediate Similarity	NPC84478
0.76	Intermediate Similarity	NPC106833
0.76	Intermediate Similarity	NPC469497
0.7596	Intermediate Similarity	NPC304183
0.759	Intermediate Similarity	NPC88363
0.7589	Intermediate Similarity	NPC131486
0.7578	Intermediate Similarity	NPC473187
0.7573	Intermediate Similarity	NPC31930
0.7565	Intermediate Similarity	NPC471294
0.7547	Intermediate Similarity	NPC251160
0.7547	Intermediate Similarity	NPC473180
0.7546	Intermediate Similarity	NPC174760
0.7546	Intermediate Similarity	NPC469439
0.7546	Intermediate Similarity	NPC132642
0.7536	Intermediate Similarity	NPC199667
0.7534	Intermediate Similarity	NPC2497
0.7532	Intermediate Similarity	NPC189079
0.7524	Intermediate Similarity	NPC329793
0.7524	Intermediate Similarity	NPC39679
0.7513	Intermediate Similarity	NPC206201
0.75	Intermediate Similarity	NPC46451
0.75	Intermediate Similarity	NPC72980
0.75	Intermediate Similarity	NPC473053
0.75	Intermediate Similarity	NPC472193
0.7489	Intermediate Similarity	NPC133609
0.7488	Intermediate Similarity	NPC473181
0.7487	Intermediate Similarity	NPC42591
0.7477	Intermediate Similarity	NPC122463
0.7477	Intermediate Similarity	NPC235076
0.7477	Intermediate Similarity	NPC201508
0.7476	Intermediate Similarity	NPC4687
0.7476	Intermediate Similarity	NPC4071
0.7476	Intermediate Similarity	NPC476582
0.7476	Intermediate Similarity	NPC476578
0.7476	Intermediate Similarity	NPC249583
0.7465	Intermediate Similarity	NPC96405
0.7465	Intermediate Similarity	NPC94157
0.7465	Intermediate Similarity	NPC171409
0.7465	Intermediate Similarity	NPC310211
0.7465	Intermediate Similarity	NPC308137
0.7465	Intermediate Similarity	NPC128115
0.7463	Intermediate Similarity	NPC474188
0.7463	Intermediate Similarity	NPC224928
0.7463	Intermediate Similarity	NPC242928
0.7462	Intermediate Similarity	NPC478032
0.7455	Intermediate Similarity	NPC214980
0.7454	Intermediate Similarity	NPC204446
0.7454	Intermediate Similarity	NPC473041
0.7453	Intermediate Similarity	NPC290689
0.7453	Intermediate Similarity	NPC123976
0.7453	Intermediate Similarity	NPC167860
0.7452	Intermediate Similarity	NPC295898
0.7442	Intermediate Similarity	NPC170114
0.7442	Intermediate Similarity	NPC3207
0.7431	Intermediate Similarity	NPC280799
0.743	Intermediate Similarity	NPC271215
0.743	Intermediate Similarity	NPC149471
0.7429	Intermediate Similarity	NPC475841
0.7429	Intermediate Similarity	NPC474145
0.7418	Intermediate Similarity	NPC208284
0.7418	Intermediate Similarity	NPC23294
0.7411	Intermediate Similarity	NPC255800
0.7411	Intermediate Similarity	NPC96584
0.7409	Intermediate Similarity	NPC179287
0.7407	Intermediate Similarity	NPC314552
0.7407	Intermediate Similarity	NPC169402
0.7406	Intermediate Similarity	NPC174758
0.7398	Intermediate Similarity	NPC56618
0.7395	Intermediate Similarity	NPC116238
0.7395	Intermediate Similarity	NPC470549
0.7393	Intermediate Similarity	NPC313189
0.7389	Intermediate Similarity	NPC476995
0.7385	Intermediate Similarity	NPC86078
0.7383	Intermediate Similarity	NPC294620
0.7383	Intermediate Similarity	NPC203168
0.7376	Intermediate Similarity	NPC227908
0.7373	Intermediate Similarity	NPC46561
0.7373	Intermediate Similarity	NPC473822
0.7371	Intermediate Similarity	NPC303951
0.7371	Intermediate Similarity	NPC219664
0.7368	Intermediate Similarity	NPC66815
0.7361	Intermediate Similarity	NPC330009
0.7356	Intermediate Similarity	NPC249040
0.7352	Intermediate Similarity	NPC310118
0.735	Intermediate Similarity	NPC244543
0.7345	Intermediate Similarity	NPC295228
0.7344	Intermediate Similarity	NPC159319
0.7333	Intermediate Similarity	NPC475774
0.7324	Intermediate Similarity	NPC174672
0.7321	Intermediate Similarity	NPC232727
0.7321	Intermediate Similarity	NPC470586
0.7317	Intermediate Similarity	NPC475190
0.7316	Intermediate Similarity	NPC475666
0.7316	Intermediate Similarity	NPC469734
0.7306	Intermediate Similarity	NPC174049
0.7302	Intermediate Similarity	NPC472098
0.7292	Intermediate Similarity	NPC177404
0.7291	Intermediate Similarity	NPC110741
0.729	Intermediate Similarity	NPC188420
0.729	Intermediate Similarity	NPC471304

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470931 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	326
0.1-0.2	681
0.2-0.3	976
0.3-0.4	1215
0.4-0.5	2635
0.5-0.6	2303
0.6-0.7	854
0.7-0.8	167
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.835	Intermediate Similarity	NPD7222	Phase 2
0.8079	Intermediate Similarity	NPD7452	Approved
0.8079	Intermediate Similarity	NPD7453	Approved
0.8071	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7941	Intermediate Similarity	NPD5530	Phase 1
0.7927	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD5429	Discontinued
0.7889	Intermediate Similarity	NPD4418	Discontinued
0.7887	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2916	Discontinued
0.7767	Intermediate Similarity	NPD4305	Clinical (unspecified phase)
0.7711	Intermediate Similarity	NPD6590	Discontinued
0.7692	Intermediate Similarity	NPD4204	Approved
0.7692	Intermediate Similarity	NPD7672	Approved
0.7692	Intermediate Similarity	NPD7671	Approved
0.7692	Intermediate Similarity	NPD5658	Approved
0.7692	Intermediate Similarity	NPD4203	Approved
0.7681	Intermediate Similarity	NPD3003	Approved
0.768	Intermediate Similarity	NPD3920	Phase 2
0.7673	Intermediate Similarity	NPD5512	Phase 3
0.7665	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD7558	Phase 2
0.7647	Intermediate Similarity	NPD6494	Phase 2
0.7644	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD3815	Phase 1
0.763	Intermediate Similarity	NPD3816	Phase 1
0.7612	Intermediate Similarity	NPD6569	Phase 2
0.7581	Intermediate Similarity	NPD7194	Discontinued
0.7565	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7559	Intermediate Similarity	NPD5902	Approved
0.7559	Intermediate Similarity	NPD5903	Approved
0.7547	Intermediate Similarity	NPD7069	Discontinued
0.7545	Intermediate Similarity	NPD7555	Discontinued
0.7535	Intermediate Similarity	NPD7395	Discontinued
0.7534	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD7674	Phase 3
0.7534	Intermediate Similarity	NPD7675	Phase 3
0.7512	Intermediate Similarity	NPD6150	Discontinued
0.75	Intermediate Similarity	NPD6550	Discontinued
0.75	Intermediate Similarity	NPD6991	Approved
0.75	Intermediate Similarity	NPD3763	Approved
0.7489	Intermediate Similarity	NPD6246	Approved
0.7476	Intermediate Similarity	NPD3837	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD6988	Phase 1
0.7455	Intermediate Similarity	NPD7426	Phase 1
0.7424	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7418	Intermediate Similarity	NPD6220	Phase 3
0.7407	Intermediate Similarity	NPD5164	Discontinued
0.7399	Intermediate Similarity	NPD6962	Phase 2
0.7397	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7395	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD1768	Approved
0.7387	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7373	Intermediate Similarity	NPD6985	Discontinued
0.7368	Intermediate Similarity	NPD6208	Discontinued
0.7368	Intermediate Similarity	NPD7417	Discontinued
0.7368	Intermediate Similarity	NPD6975	Discontinued
0.7343	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD7025	Clinical (unspecified phase)
0.7316	Intermediate Similarity	NPD5488	Discontinued
0.7313	Intermediate Similarity	NPD4889	Approved
0.7306	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD6790	Phase 1
0.7281	Intermediate Similarity	NPD5612	Discontinued
0.7273	Intermediate Similarity	NPD6159	Phase 2
0.7268	Intermediate Similarity	NPD3922	Approved
0.7268	Intermediate Similarity	NPD3921	Approved
0.7268	Intermediate Similarity	NPD3923	Approved
0.7268	Intermediate Similarity	NPD3924	Approved
0.726	Intermediate Similarity	NPD3875	Discontinued
0.7257	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD4502	Phase 2
0.725	Intermediate Similarity	NPD3037	Phase 1
0.7249	Intermediate Similarity	NPD8016	Phase 3
0.7249	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD8359	Phase 2
0.724	Intermediate Similarity	NPD7219	Approved
0.724	Intermediate Similarity	NPD7221	Approved
0.7238	Intermediate Similarity	NPD4511	Phase 1
0.7236	Intermediate Similarity	NPD7479	Phase 2
0.7235	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD6361	Phase 2
0.7233	Intermediate Similarity	NPD4551	Phase 2
0.7227	Intermediate Similarity	NPD5930	Phase 3
0.7222	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.722	Intermediate Similarity	NPD5913	Phase 3
0.722	Intermediate Similarity	NPD6656	Clinical (unspecified phase)
0.722	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD4039	Approved
0.7217	Intermediate Similarity	NPD4035	Approved
0.7217	Intermediate Similarity	NPD32	Approved
0.7217	Intermediate Similarity	NPD4033	Approved
0.7217	Intermediate Similarity	NPD4122	Approved
0.7217	Intermediate Similarity	NPD4036	Approved
0.7217	Intermediate Similarity	NPD4037	Approved
0.7217	Intermediate Similarity	NPD4034	Approved
0.7217	Intermediate Similarity	NPD4038	Approved
0.7217	Intermediate Similarity	NPD31	Approved
0.7202	Intermediate Similarity	NPD1684	Approved
0.7202	Intermediate Similarity	NPD1685	Approved
0.7198	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD6251	Discontinued
0.719	Intermediate Similarity	NPD6773	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD5751	Clinical (unspecified phase)
0.7177	Intermediate Similarity	NPD2727	Phase 2
0.7175	Intermediate Similarity	NPD7719	Discontinued
0.7171	Intermediate Similarity	NPD6281	Approved
0.7156	Intermediate Similarity	NPD6592	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD1392	Approved
0.7149	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8244	Phase 2
0.7143	Intermediate Similarity	NPD4986	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD3397	Phase 2
0.7131	Intermediate Similarity	NPD8364	Approved
0.7131	Intermediate Similarity	NPD8363	Approved
0.7129	Intermediate Similarity	NPD6769	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD4349	Approved
0.7124	Intermediate Similarity	NPD4350	Approved
0.7124	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7112	Intermediate Similarity	NPD6716	Phase 1
0.7109	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD6158	Phase 2
0.7105	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD2882	Phase 1
0.7097	Intermediate Similarity	NPD5067	Phase 2
0.7097	Intermediate Similarity	NPD5066	Phase 2
0.7091	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD3477	Phase 2
0.7078	Intermediate Similarity	NPD7538	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD2383	Phase 1
0.7073	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD1038	Approved
0.7065	Intermediate Similarity	NPD1503	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5632	Approved
0.7056	Intermediate Similarity	NPD4795	Phase 2
0.7053	Intermediate Similarity	NPD2334	Discontinued
0.705	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD7567	Approved
0.7048	Intermediate Similarity	NPD7948	Phase 1
0.7042	Intermediate Similarity	NPD7169	Suspended
0.704	Intermediate Similarity	NPD4881	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD3259	Approved
0.7035	Intermediate Similarity	NPD6327	Phase 1
0.7035	Intermediate Similarity	NPD7418	Discontinued
0.7035	Intermediate Similarity	NPD6326	Phase 2
0.7035	Intermediate Similarity	NPD6607	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD3810	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD5945	Phase 1
0.7032	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD5944	Phase 1
0.7031	Intermediate Similarity	NPD4373	Phase 2
0.7031	Intermediate Similarity	NPD5617	Suspended
0.7028	Intermediate Similarity	NPD8465	Approved
0.7028	Intermediate Similarity	NPD8467	Approved
0.7028	Intermediate Similarity	NPD8466	Approved
0.7024	Intermediate Similarity	NPD4375	Approved
0.7023	Intermediate Similarity	NPD7174	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD8403	Phase 1
0.7023	Intermediate Similarity	NPD3932	Clinical (unspecified phase)
0.7022	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD5416	Discontinued
0.7018	Intermediate Similarity	NPD5939	Approved
0.7018	Intermediate Similarity	NPD5936	Approved
0.7012	Intermediate Similarity	NPD7955	Approved
0.7012	Intermediate Similarity	NPD7956	Approved
0.6991	Remote Similarity	NPD3930	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD1078	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6976	Remote Similarity	NPD7424	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4952	Phase 3
0.6971	Remote Similarity	NPD8091	Phase 3
0.697	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6147	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD7112	Discontinued
0.6966	Remote Similarity	NPD6473	Phase 1
0.6964	Remote Similarity	NPD5506	Approved
0.6964	Remote Similarity	NPD5507	Approved
0.6963	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD5863	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6965	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD3396	Approved
0.6952	Remote Similarity	NPD3395	Approved
0.6951	Remote Similarity	NPD3402	Phase 1
0.6951	Remote Similarity	NPD3258	Approved
0.6947	Remote Similarity	NPD3925	Approved
0.6942	Remote Similarity	NPD5256	Discontinued
0.6941	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD7474	Suspended
0.6935	Remote Similarity	NPD1325	Approved
0.6935	Remote Similarity	NPD1326	Approved
0.6933	Remote Similarity	NPD6736	Discontinued

Structure

NPC470931 OpenBabel07101719522D 26 31 0 0 1 0 0 0 0 0999 V2000 0.8980 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 -2.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 -3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -0.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3891 -0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5231 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6764 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5231 -1.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 1.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3891 -1.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 -0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -1.4506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3421 -2.1225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6571 -1.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1237 -0.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1182 -0.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 -2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 -0.7101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7060 -1.5872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2551 -1.7782 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 12 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 13 2 0 0 0 0 10 18 1 0 0 0 0 11 23 1 0 0 0 0 12 21 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 20 1 0 0 0 0 16 11 1 1 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 7 1 6 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 23 4 1 6 0 0 0 23 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71717470
ChEMBL	CHEMBL2323767
ZINC

Physicochemical Properties

Molecular Weight:	347.19
ALogP:	1.0227
MLogP:	3.66
XLogP:	4.528
# Rotatable Bonds:	5
Polar Surface Area:	34.39
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	26

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