NPASS Natural Product

Natural Product: NPC13397

Natural Product ID:	NPC13397
Common Name:	Isonaamine C
IUPAC Name:	4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine
Synonyms:	Isonaamine C
Molecular Formula:	C20H23N3O3
Standard InCHIKey:	NAVLFLWMOIRLJG-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H23N3O3/c1-24-17-7-4-14(5-8-17)12-23-13-16(22-20(23)21)10-15-6-9-18(25-2)19(11-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,21,22)
Canonical SMILES:	COc1ccc(cc1)Cn1cc([nH]c1=N)Cc1ccc(c(c1)OC)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO24342	Lupinus albus	Species	Fabaceae	Eukaryota	UNPD*
NPO29025	Streptomyces nojiriensis	Species	Streptomycetaceae	Bacteria	UNPD*
NPO28861	Cladonia graciliformis	Species	Cladoniaceae	Eukaryota	UNPD*
NPO29065	Hypoxis rooperi	Species	Hypoxidaceae	Eukaryota	UNPD*
NPO17683	Cryptocarya moschata	Species	Lauraceae	Eukaryota	UNPD*
NPO29470	Anhalonium fissuratum	NA	NA	NA	UNPD*
NPO29434	Centaurea involucrata	Species	Asteraceae	Eukaryota	UNPD*
NPO29043	Hypoxylon oceanicum	Species	Xylariaceae	Eukaryota	UNPD*
NPO28968	Teucrium flavum	Species	Lamiaceae	Eukaryota	UNPD*
NPO29509	Leucetta chagosensis	Species	Leucettidae	Eukaryota	UNPD*
NPO29124	Argemone squarrosa	Species	Papaveraceae	Eukaryota	UNPD*
NPO644	Pseudopestalotiopsis theae	Species	Sporocadaceae	Eukaryota	UNPD*
NPO29473	Amycolatopsis mediterranei	Species	Pseudonocardiaceae	Bacteria	UNPD*
NPO24421.1	Agave salmiana var. ferox	Varieties	Asparagaceae	Eukaryota	UNPD*
NPO25094	Artemisia princeps	Species	Asteraceae	Eukaryota	UNPD*
NPO29238	Heterocondylus vitalbae	Species	Asteraceae	Eukaryota	UNPD*
NPO29255	Salvia chinensis	Species	Lamiaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
GI50	3

Activity Type	# Activity
Cell Line	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		GI50	=	5.3	ug/ml	12193030
NPT65	Cell Line	HepG2	Homo sapiens	GI50	=	2.2	ug/ml	12193030
NPT1229	Cell Line	Huh-7	Homo sapiens	GI50	=	2.1	ug/ml	12193030

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 NPC13397 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	217
0.1-0.2	1329
0.2-0.3	8854
0.3-0.4	3960
0.4-0.5	7744
0.5-0.6	6999
0.6-0.7	1572
0.7-0.8	209
0.8-0.85	3
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8874	High Similarity	NPC292003
0.8535	High Similarity	NPC247251
0.8356	Intermediate Similarity	NPC237227
0.8252	Intermediate Similarity	NPC172403
0.8028	Intermediate Similarity	NPC298486
0.7895	Intermediate Similarity	NPC314682
0.7881	Intermediate Similarity	NPC253429
0.7867	Intermediate Similarity	NPC11147
0.7852	Intermediate Similarity	NPC160692
0.7843	Intermediate Similarity	NPC188163
0.7843	Intermediate Similarity	NPC474915
0.7843	Intermediate Similarity	NPC213206
0.7843	Intermediate Similarity	NPC328750
0.7785	Intermediate Similarity	NPC118419
0.7785	Intermediate Similarity	NPC60538
0.7785	Intermediate Similarity	NPC207824
0.7771	Intermediate Similarity	NPC79213
0.777	Intermediate Similarity	NPC160193
0.7756	Intermediate Similarity	NPC130926
0.7727	Intermediate Similarity	NPC323204
0.7688	Intermediate Similarity	NPC277669
0.7688	Intermediate Similarity	NPC76213
0.7654	Intermediate Similarity	NPC93593
0.7654	Intermediate Similarity	NPC187022
0.7654	Intermediate Similarity	NPC80129
0.7643	Intermediate Similarity	NPC185838
0.7628	Intermediate Similarity	NPC476567
0.7628	Intermediate Similarity	NPC128019
0.7628	Intermediate Similarity	NPC136860
0.761	Intermediate Similarity	NPC475959
0.7606	Intermediate Similarity	NPC120075
0.7593	Intermediate Similarity	NPC2295
0.7593	Intermediate Similarity	NPC477564
0.7584	Intermediate Similarity	NPC471321
0.7584	Intermediate Similarity	NPC471306
0.7582	Intermediate Similarity	NPC42793
0.7582	Intermediate Similarity	NPC231884
0.7582	Intermediate Similarity	NPC167944
0.7568	Intermediate Similarity	NPC301713
0.7562	Intermediate Similarity	NPC219162
0.7547	Intermediate Similarity	NPC179825
0.7547	Intermediate Similarity	NPC210437
0.7547	Intermediate Similarity	NPC476151
0.7547	Intermediate Similarity	NPC51957
0.7547	Intermediate Similarity	NPC321505
0.7547	Intermediate Similarity	NPC16107
0.7547	Intermediate Similarity	NPC476144
0.7547	Intermediate Similarity	NPC106295
0.7547	Intermediate Similarity	NPC191376
0.7533	Intermediate Similarity	NPC262641
0.7532	Intermediate Similarity	NPC193528
0.7516	Intermediate Similarity	NPC274026
0.75	Intermediate Similarity	NPC126519
0.75	Intermediate Similarity	NPC24233
0.75	Intermediate Similarity	NPC7467
0.75	Intermediate Similarity	NPC170503
0.75	Intermediate Similarity	NPC147390
0.75	Intermediate Similarity	NPC428
0.75	Intermediate Similarity	NPC203784
0.75	Intermediate Similarity	NPC476571
0.75	Intermediate Similarity	NPC135538
0.75	Intermediate Similarity	NPC246587
0.7485	Intermediate Similarity	NPC475393
0.7473	Intermediate Similarity	NPC25897
0.7468	Intermediate Similarity	NPC7018
0.7468	Intermediate Similarity	NPC294249
0.7453	Intermediate Similarity	NPC477565
0.7453	Intermediate Similarity	NPC103379
0.7453	Intermediate Similarity	NPC92541
0.7442	Intermediate Similarity	NPC181905
0.7438	Intermediate Similarity	NPC90844
0.7438	Intermediate Similarity	NPC253883
0.7438	Intermediate Similarity	NPC95075
0.7423	Intermediate Similarity	NPC476580
0.7423	Intermediate Similarity	NPC82285
0.7423	Intermediate Similarity	NPC133011
0.7423	Intermediate Similarity	NPC148898
0.7391	Intermediate Similarity	NPC130941
0.7384	Intermediate Similarity	NPC228040
0.7362	Intermediate Similarity	NPC474852
0.7362	Intermediate Similarity	NPC476568
0.7362	Intermediate Similarity	NPC326316
0.7362	Intermediate Similarity	NPC81733
0.7355	Intermediate Similarity	NPC131204
0.7355	Intermediate Similarity	NPC301050
0.7347	Intermediate Similarity	NPC211992
0.7337	Intermediate Similarity	NPC121275
0.7337	Intermediate Similarity	NPC284183
0.7337	Intermediate Similarity	NPC4138
0.7333	Intermediate Similarity	NPC138487
0.7333	Intermediate Similarity	NPC216459
0.7333	Intermediate Similarity	NPC41178
0.7329	Intermediate Similarity	NPC144863
0.732	Intermediate Similarity	NPC214869
0.732	Intermediate Similarity	NPC130595
0.732	Intermediate Similarity	NPC93882
0.7317	Intermediate Similarity	NPC233029
0.7317	Intermediate Similarity	NPC210148
0.7301	Intermediate Similarity	NPC97221
0.7301	Intermediate Similarity	NPC220858
0.7301	Intermediate Similarity	NPC192768
0.7301	Intermediate Similarity	NPC151895
0.7301	Intermediate Similarity	NPC88249
0.7294	Intermediate Similarity	NPC304659
0.7294	Intermediate Similarity	NPC86144
0.7289	Intermediate Similarity	NPC247639
0.7289	Intermediate Similarity	NPC146288
0.7289	Intermediate Similarity	NPC57512
0.7289	Intermediate Similarity	NPC25084
0.7283	Intermediate Similarity	NPC4669
0.7273	Intermediate Similarity	NPC6854
0.7273	Intermediate Similarity	NPC313737
0.7273	Intermediate Similarity	NPC285078
0.7273	Intermediate Similarity	NPC261388
0.7255	Intermediate Similarity	NPC476570
0.7255	Intermediate Similarity	NPC114102
0.7248	Intermediate Similarity	NPC217277
0.7248	Intermediate Similarity	NPC140359
0.7248	Intermediate Similarity	NPC13020
0.7244	Intermediate Similarity	NPC416184
0.7237	Intermediate Similarity	NPC155838
0.7229	Intermediate Similarity	NPC2413
0.7229	Intermediate Similarity	NPC189266
0.7229	Intermediate Similarity	NPC276588
0.7229	Intermediate Similarity	NPC54379
0.7229	Intermediate Similarity	NPC193949
0.7229	Intermediate Similarity	NPC110416
0.7229	Intermediate Similarity	NPC469817
0.7229	Intermediate Similarity	NPC39701
0.7229	Intermediate Similarity	NPC172765
0.7229	Intermediate Similarity	NPC295691
0.7229	Intermediate Similarity	NPC127674
0.7229	Intermediate Similarity	NPC278799
0.7229	Intermediate Similarity	NPC207757
0.7229	Intermediate Similarity	NPC249797
0.7229	Intermediate Similarity	NPC5238
0.7229	Intermediate Similarity	NPC244112
0.7229	Intermediate Similarity	NPC184026
0.7229	Intermediate Similarity	NPC204828
0.7226	Intermediate Similarity	NPC218530
0.7219	Intermediate Similarity	NPC24954
0.7212	Intermediate Similarity	NPC26601
0.7205	Intermediate Similarity	NPC145304
0.7202	Intermediate Similarity	NPC92191
0.7202	Intermediate Similarity	NPC59028
0.7202	Intermediate Similarity	NPC216816
0.72	Intermediate Similarity	NPC105513
0.7193	Intermediate Similarity	NPC81247
0.7193	Intermediate Similarity	NPC476573
0.7193	Intermediate Similarity	NPC35627
0.719	Intermediate Similarity	NPC52029
0.719	Intermediate Similarity	NPC35961
0.719	Intermediate Similarity	NPC195749
0.7186	Intermediate Similarity	NPC234392
0.7186	Intermediate Similarity	NPC37205
0.7186	Intermediate Similarity	NPC31311
0.7186	Intermediate Similarity	NPC160931
0.7179	Intermediate Similarity	NPC475828
0.7176	Intermediate Similarity	NPC189470
0.7171	Intermediate Similarity	NPC291847
0.7171	Intermediate Similarity	NPC153990
0.7168	Intermediate Similarity	NPC109925
0.716	Intermediate Similarity	NPC266753
0.716	Intermediate Similarity	NPC232924
0.716	Intermediate Similarity	NPC160298
0.716	Intermediate Similarity	NPC306902
0.716	Intermediate Similarity	NPC477559
0.7152	Intermediate Similarity	NPC476579
0.7152	Intermediate Similarity	NPC318965
0.7151	Intermediate Similarity	NPC471604
0.7143	Intermediate Similarity	NPC308885
0.7143	Intermediate Similarity	NPC476572
0.7143	Intermediate Similarity	NPC255550
0.7135	Intermediate Similarity	NPC39103
0.7135	Intermediate Similarity	NPC2770
0.7126	Intermediate Similarity	NPC475215
0.7126	Intermediate Similarity	NPC76079
0.7126	Intermediate Similarity	NPC78733
0.7126	Intermediate Similarity	NPC108434
0.7126	Intermediate Similarity	NPC325871
0.7126	Intermediate Similarity	NPC99659
0.7108	Intermediate Similarity	NPC114124
0.7101	Intermediate Similarity	NPC111485
0.7101	Intermediate Similarity	NPC477080
0.7083	Intermediate Similarity	NPC147091
0.7083	Intermediate Similarity	NPC186063
0.7076	Intermediate Similarity	NPC124433
0.7076	Intermediate Similarity	NPC233650
0.7076	Intermediate Similarity	NPC293871
0.7069	Intermediate Similarity	NPC6152
0.7067	Intermediate Similarity	NPC471315
0.7067	Intermediate Similarity	NPC471314
0.7063	Intermediate Similarity	NPC470925
0.7059	Intermediate Similarity	NPC251571
0.7059	Intermediate Similarity	NPC166014
0.7059	Intermediate Similarity	NPC186898
0.7059	Intermediate Similarity	NPC27410
0.7055	Intermediate Similarity	NPC473934
0.7052	Intermediate Similarity	NPC204947
0.7048	Intermediate Similarity	NPC52475

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC13397 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	166
0.1-0.2	550
0.2-0.3	1129
0.3-0.4	889
0.4-0.5	3407
0.5-0.6	2126
0.6-0.7	780
0.7-0.8	110
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
0.8322	Intermediate Similarity	NPD1044	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD6031	Approved
0.8129	Intermediate Similarity	NPD6030	Approved
0.8	Intermediate Similarity	NPD1771	Clinical (unspecified phase)
0.7875	Intermediate Similarity	NPD5720	Discontinued
0.7843	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD5718	Phase 2
0.7834	Intermediate Similarity	NPD1351	Approved
0.7834	Intermediate Similarity	NPD1350	Approved
0.7834	Intermediate Similarity	NPD1349	Approved
0.7823	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD5966	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD7298	Approved
0.7602	Intermediate Similarity	NPD6996	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD6896	Approved
0.7582	Intermediate Similarity	NPD6895	Approved
0.7564	Intermediate Similarity	NPD3060	Approved
0.7564	Intermediate Similarity	NPD4162	Approved
0.756	Intermediate Similarity	NPD4083	Discontinued
0.7547	Intermediate Similarity	NPD4584	Approved
0.7547	Intermediate Similarity	NPD1424	Approved
0.7533	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4157	Discontinued
0.7473	Intermediate Similarity	NPD6612	Phase 2
0.7471	Intermediate Similarity	NPD5917	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD6046	Clinical (unspecified phase)
0.7425	Intermediate Similarity	NPD2190	Approved
0.7407	Intermediate Similarity	NPD5267	Discontinued
0.7403	Intermediate Similarity	NPD2653	Approved
0.7389	Intermediate Similarity	NPD7153	Discontinued
0.7372	Intermediate Similarity	NPD3156	Discontinued
0.7368	Intermediate Similarity	NPD1039	Discontinued
0.7362	Intermediate Similarity	NPD4017	Approved
0.736	Intermediate Similarity	NPD3408	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD5976	Discontinued
0.732	Intermediate Similarity	NPD2674	Phase 3
0.7308	Intermediate Similarity	NPD7425	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD2883	Discontinued
0.7289	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD3633	Approved
0.7278	Intermediate Similarity	NPD3634	Approved
0.7267	Intermediate Similarity	NPD3489	Phase 3
0.7256	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD5241	Discontinued
0.7233	Intermediate Similarity	NPD2459	Approved
0.7233	Intermediate Similarity	NPD2458	Approved
0.7233	Intermediate Similarity	NPD2460	Phase 3
0.7222	Intermediate Similarity	NPD4123	Phase 3
0.7205	Intermediate Similarity	NPD7124	Phase 2
0.7202	Intermediate Similarity	NPD6788	Approved
0.7186	Intermediate Similarity	NPD2977	Approved
0.7186	Intermediate Similarity	NPD2978	Approved
0.7179	Intermediate Similarity	NPD2986	Phase 2
0.7179	Intermediate Similarity	NPD2989	Phase 2
0.7178	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD4598	Approved
0.717	Intermediate Similarity	NPD4597	Approved
0.7168	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD7032	Approved
0.7152	Intermediate Similarity	NPD3055	Approved
0.7152	Intermediate Similarity	NPD3053	Approved
0.7143	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3631	Phase 3
0.7143	Intermediate Similarity	NPD3145	Approved
0.7143	Intermediate Similarity	NPD3144	Approved
0.7134	Intermediate Similarity	NPD3640	Phase 3
0.7134	Intermediate Similarity	NPD3641	Approved
0.7134	Intermediate Similarity	NPD3639	Approved
0.7125	Intermediate Similarity	NPD44	Approved
0.7125	Intermediate Similarity	NPD6364	Approved
0.7117	Intermediate Similarity	NPD2874	Phase 2
0.7111	Intermediate Similarity	NPD5188	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD7905	Discontinued
0.7102	Intermediate Similarity	NPD6297	Approved
0.7099	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD3530	Approved
0.7097	Intermediate Similarity	NPD3531	Approved
0.7097	Intermediate Similarity	NPD3532	Approved
0.7093	Intermediate Similarity	NPD4166	Phase 2
0.7089	Intermediate Similarity	NPD6380	Phase 1
0.7086	Intermediate Similarity	NPD5311	Approved
0.7086	Intermediate Similarity	NPD5310	Approved
0.7081	Intermediate Similarity	NPD3977	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD2407	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7831	Phase 2
0.7059	Intermediate Similarity	NPD7833	Phase 2
0.7059	Intermediate Similarity	NPD5604	Discontinued
0.7059	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD4084	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD3866	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD2161	Phase 2
0.7044	Intermediate Similarity	NPD3175	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD2358	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD5967	Approved
0.7035	Intermediate Similarity	NPD3983	Phase 3
0.7035	Intermediate Similarity	NPD3984	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD6107	Approved
0.703	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD5708	Clinical (unspecified phase)
0.702	Intermediate Similarity	NPD1421	Approved
0.702	Intermediate Similarity	NPD4129	Approved
0.702	Intermediate Similarity	NPD1420	Approved
0.7019	Intermediate Similarity	NPD4237	Approved
0.7019	Intermediate Similarity	NPD4236	Phase 3
0.7017	Intermediate Similarity	NPD3349	Phase 2
0.7006	Intermediate Similarity	NPD4678	Approved
0.7006	Intermediate Similarity	NPD4675	Approved
0.7006	Intermediate Similarity	NPD3679	Phase 2
0.7	Intermediate Similarity	NPD6809	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD2120	Phase 2
0.6989	Remote Similarity	NPD5810	Discontinued
0.6987	Remote Similarity	NPD2245	Discovery
0.6987	Remote Similarity	NPD4475	Approved
0.6987	Remote Similarity	NPD4474	Approved
0.698	Remote Similarity	NPD2667	Approved
0.698	Remote Similarity	NPD2668	Approved
0.6978	Remote Similarity	NPD2843	Phase 2
0.6978	Remote Similarity	NPD2845	Phase 2
0.6975	Remote Similarity	NPD6331	Phase 2
0.6975	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD7066	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2922	Phase 1
0.6971	Remote Similarity	NPD6720	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD5283	Phase 1
0.6964	Remote Similarity	NPD4773	Phase 2
0.6964	Remote Similarity	NPD4772	Phase 2
0.6951	Remote Similarity	NPD7598	Phase 2
0.6944	Remote Similarity	NPD6851	Approved
0.6944	Remote Similarity	NPD6853	Approved
0.6943	Remote Similarity	NPD5645	Phase 3
0.6941	Remote Similarity	NPD2560	Approved
0.6941	Remote Similarity	NPD5978	Approved
0.6941	Remote Similarity	NPD5977	Approved
0.6941	Remote Similarity	NPD2563	Approved
0.6936	Remote Similarity	NPD7802	Discontinued
0.6928	Remote Similarity	NPD3568	Approved
0.6928	Remote Similarity	NPD3567	Approved
0.6918	Remote Similarity	NPD593	Approved
0.6918	Remote Similarity	NPD595	Approved
0.6913	Remote Similarity	NPD2595	Approved
0.6913	Remote Similarity	NPD2594	Approved
0.6909	Remote Similarity	NPD5348	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD2429	Approved
0.6908	Remote Similarity	NPD2428	Approved
0.6901	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD6877	Discontinued
0.6897	Remote Similarity	NPD4606	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD1375	Discontinued
0.6886	Remote Similarity	NPD3687	Approved
0.6886	Remote Similarity	NPD3686	Approved
0.6867	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD2556	Approved
0.6867	Remote Similarity	NPD2554	Approved
0.6864	Remote Similarity	NPD7110	Phase 1
0.6864	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD2492	Phase 1
0.6854	Remote Similarity	NPD7479	Phase 2
0.6852	Remote Similarity	NPD7045	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6851	Remote Similarity	NPD6618	Phase 2
0.6848	Remote Similarity	NPD3124	Discontinued
0.6848	Remote Similarity	NPD5641	Discontinued
0.6845	Remote Similarity	NPD6523	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD3515	Approved
0.6842	Remote Similarity	NPD3516	Approved
0.6842	Remote Similarity	NPD3106	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD3511	Discontinued
0.6836	Remote Similarity	NPD8252	Approved
0.6836	Remote Similarity	NPD8099	Discontinued
0.6836	Remote Similarity	NPD8251	Approved
0.6829	Remote Similarity	NPD3301	Approved
0.6824	Remote Similarity	NPD1769	Discontinued
0.6821	Remote Similarity	NPD4796	Discontinued
0.6815	Remote Similarity	NPD5109	Approved
0.6815	Remote Similarity	NPD5110	Phase 2
0.6815	Remote Similarity	NPD5111	Phase 2
0.6813	Remote Similarity	NPD6967	Phase 2
0.6813	Remote Similarity	NPD6111	Discontinued
0.681	Remote Similarity	NPD5177	Phase 3
0.6805	Remote Similarity	NPD4179	Approved
0.6805	Remote Similarity	NPD6876	Approved
0.6805	Remote Similarity	NPD4180	Approved
0.6805	Remote Similarity	NPD6875	Approved
0.6804	Remote Similarity	NPD4917	Discontinued
0.6802	Remote Similarity	NPD1743	Approved
0.6802	Remote Similarity	NPD1742	Approved
0.6802	Remote Similarity	NPD19	Approved
0.68	Remote Similarity	NPD6071	Discontinued
0.68	Remote Similarity	NPD3049	Approved
0.68	Remote Similarity	NPD4010	Discontinued
0.6798	Remote Similarity	NPD8156	Discontinued
0.6797	Remote Similarity	NPD1669	Approved
0.6793	Remote Similarity	NPD6377	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD5773	Approved
0.6784	Remote Similarity	NPD5772	Approved

Structure

CID13397 OpenBabel06191715342D 26 28 0 0 0 0 0 0 0 0999 V2000 4.3402 3.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 2.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 2.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 -0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 2.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 1.1636 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 -0.0933 1.7796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 3.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 2.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 14 2 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 9 2 0 0 0 0 6 15 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 16 22 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5324778
ChEMBL	CHEMBL519682
ZINC

Physicochemical Properties

Molecular Weight:	353.17
ALogP:	-0.7921
MLogP:	3
XLogP:	4.692
# Rotatable Bonds:	10
Polar Surface Area:	66.81
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	26

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