NPASS Natural Product

Natural Product: NPC169742

Natural Product ID:	NPC169742
Common Name:	N-(3-Methoxy-4,5-Methylenedioxydihydrocinnamoyl)-Delta3-Pyridin-2-One
IUPAC Name:	1-[3-(7-methoxy-1,3-benzodioxol-5-yl)propanoyl]-2,3-dihydropyridin-6-one
Synonyms:
Molecular Formula:	C16H17NO5
Standard InCHIKey:	FVDNFBPSWOROKM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H17NO5/c1-20-12-8-11(9-13-16(12)22-10-21-13)5-6-15(19)17-7-3-2-4-14(17)18/h2,4,8-9H,3,5-7,10H2,1H3
Canonical SMILES:	COc1cc(CCC(=O)N2CCC=CC2=O)cc2c1OCO2
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
NPO33320	piper aborescens	Species	Piperaceae	Eukaryota	Leaves			PMID[2089124]

Biological Activity

Activity Type	# Activity
ED50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	ED50	=	4.99	ug/ml	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	ED50	=	3.8	ug/ml	16417306
NPT168	Cell Line	P388	Mus musculus	ED50	=	2.21	ug/ml	DrugMatrix in vivo data: Biochemistry
NPT81	Cell Line	A549	Homo sapiens	ED50	=	5.76	ug/ml	DrugMatrix in vivo data: Biochemistry

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 NPC169742 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	174
0.1-0.2	1066
0.2-0.3	3231
0.3-0.4	8629
0.4-0.5	3986
0.5-0.6	5358
0.6-0.7	7664
0.7-0.8	742
0.8-0.85	19
0.85-0.9	19
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.931	High Similarity	NPC244338
0.8897	High Similarity	NPC214036
0.8897	High Similarity	NPC113236
0.8639	High Similarity	NPC225745
0.8639	High Similarity	NPC252107
0.8571	High Similarity	NPC99078
0.8519	High Similarity	NPC473748
0.8514	High Similarity	NPC194359
0.8514	High Similarity	NPC470707
0.8514	High Similarity	NPC220923
0.8514	High Similarity	NPC28641
0.8503	High Similarity	NPC230698
0.8503	High Similarity	NPC180647
0.8503	High Similarity	NPC251454
0.8503	High Similarity	NPC196609
0.8503	High Similarity	NPC277042
0.8503	High Similarity	NPC255817
0.8503	High Similarity	NPC136330
0.8503	High Similarity	NPC73883
0.8503	High Similarity	NPC205178
0.8446	Intermediate Similarity	NPC137172
0.8446	Intermediate Similarity	NPC145446
0.8435	Intermediate Similarity	NPC167096
0.8389	Intermediate Similarity	NPC248505
0.8389	Intermediate Similarity	NPC95366
0.8378	Intermediate Similarity	NPC96406
0.8344	Intermediate Similarity	NPC471073
0.8344	Intermediate Similarity	NPC270811
0.8311	Intermediate Similarity	NPC103947
0.8311	Intermediate Similarity	NPC193673
0.8311	Intermediate Similarity	NPC45783
0.8311	Intermediate Similarity	NPC328419
0.8311	Intermediate Similarity	NPC94280
0.8311	Intermediate Similarity	NPC159150
0.8176	Intermediate Similarity	NPC318862
0.8176	Intermediate Similarity	NPC217574
0.8129	Intermediate Similarity	NPC469978
0.8061	Intermediate Similarity	NPC474858
0.8037	Intermediate Similarity	NPC26353
0.7962	Intermediate Similarity	NPC474158
0.7961	Intermediate Similarity	NPC469808
0.795	Intermediate Similarity	NPC470708
0.7925	Intermediate Similarity	NPC470088
0.7911	Intermediate Similarity	NPC296575
0.7857	Intermediate Similarity	NPC231572
0.7799	Intermediate Similarity	NPC472560
0.7785	Intermediate Similarity	NPC475000
0.7771	Intermediate Similarity	NPC18306
0.7771	Intermediate Similarity	NPC176586
0.7771	Intermediate Similarity	NPC210354
0.775	Intermediate Similarity	NPC37144
0.775	Intermediate Similarity	NPC59907
0.7727	Intermediate Similarity	NPC38101
0.7722	Intermediate Similarity	NPC474288
0.7719	Intermediate Similarity	NPC329992
0.7714	Intermediate Similarity	NPC116007
0.7688	Intermediate Similarity	NPC224687
0.7688	Intermediate Similarity	NPC193779
0.7688	Intermediate Similarity	NPC329816
0.7683	Intermediate Similarity	NPC68882
0.7673	Intermediate Similarity	NPC177644
0.7673	Intermediate Similarity	NPC191158
0.7667	Intermediate Similarity	NPC470646
0.7658	Intermediate Similarity	NPC40237
0.7658	Intermediate Similarity	NPC151423
0.7655	Intermediate Similarity	NPC119949
0.7654	Intermediate Similarity	NPC472567
0.7651	Intermediate Similarity	NPC329640
0.7636	Intermediate Similarity	NPC478213
0.7613	Intermediate Similarity	NPC211386
0.7607	Intermediate Similarity	NPC475170
0.7607	Intermediate Similarity	NPC177830
0.7598	Intermediate Similarity	NPC63152
0.7595	Intermediate Similarity	NPC51681
0.7593	Intermediate Similarity	NPC40654
0.7593	Intermediate Similarity	NPC262804
0.759	Intermediate Similarity	NPC284353
0.7582	Intermediate Similarity	NPC118419
0.7576	Intermediate Similarity	NPC144162
0.7576	Intermediate Similarity	NPC153008
0.7576	Intermediate Similarity	NPC148497
0.7574	Intermediate Similarity	NPC231198
0.7568	Intermediate Similarity	NPC256167
0.7562	Intermediate Similarity	NPC218841
0.7562	Intermediate Similarity	NPC92693
0.7562	Intermediate Similarity	NPC15743
0.7561	Intermediate Similarity	NPC32079
0.7561	Intermediate Similarity	NPC163002
0.7561	Intermediate Similarity	NPC234152
0.7558	Intermediate Similarity	NPC303581
0.7558	Intermediate Similarity	NPC67978
0.755	Intermediate Similarity	NPC64948
0.7548	Intermediate Similarity	NPC145769
0.7548	Intermediate Similarity	NPC11147
0.7544	Intermediate Similarity	NPC86469
0.7533	Intermediate Similarity	NPC173608
0.7532	Intermediate Similarity	NPC266425
0.7531	Intermediate Similarity	NPC88345
0.753	Intermediate Similarity	NPC279930
0.753	Intermediate Similarity	NPC57211
0.7528	Intermediate Similarity	NPC474009
0.7517	Intermediate Similarity	NPC33271
0.7516	Intermediate Similarity	NPC477705
0.7516	Intermediate Similarity	NPC20796
0.7516	Intermediate Similarity	NPC166184
0.7516	Intermediate Similarity	NPC477694
0.7516	Intermediate Similarity	NPC63574
0.7515	Intermediate Similarity	NPC220577
0.7515	Intermediate Similarity	NPC189782
0.7515	Intermediate Similarity	NPC279061
0.7514	Intermediate Similarity	NPC83511
0.75	Intermediate Similarity	NPC218575
0.75	Intermediate Similarity	NPC119669
0.75	Intermediate Similarity	NPC310206
0.75	Intermediate Similarity	NPC473562
0.75	Intermediate Similarity	NPC72796
0.75	Intermediate Similarity	NPC240915
0.75	Intermediate Similarity	NPC73071
0.75	Intermediate Similarity	NPC44245
0.7486	Intermediate Similarity	NPC208890
0.7485	Intermediate Similarity	NPC476363
0.7485	Intermediate Similarity	NPC478238
0.7483	Intermediate Similarity	NPC222175
0.7471	Intermediate Similarity	NPC35345
0.7471	Intermediate Similarity	NPC306669
0.7471	Intermediate Similarity	NPC308267
0.7471	Intermediate Similarity	NPC180306
0.747	Intermediate Similarity	NPC35544
0.747	Intermediate Similarity	NPC104728
0.747	Intermediate Similarity	NPC292460
0.747	Intermediate Similarity	NPC52623
0.7469	Intermediate Similarity	NPC87295
0.7468	Intermediate Similarity	NPC477706
0.7468	Intermediate Similarity	NPC192255
0.7468	Intermediate Similarity	NPC44573
0.7468	Intermediate Similarity	NPC470962
0.7467	Intermediate Similarity	NPC283170
0.7467	Intermediate Similarity	NPC92869
0.7467	Intermediate Similarity	NPC191768
0.7456	Intermediate Similarity	NPC113055
0.7455	Intermediate Similarity	NPC477700
0.7453	Intermediate Similarity	NPC50696
0.7452	Intermediate Similarity	NPC143895
0.7451	Intermediate Similarity	NPC262641
0.745	Intermediate Similarity	NPC288238
0.7439	Intermediate Similarity	NPC145569
0.7439	Intermediate Similarity	NPC216223
0.7438	Intermediate Similarity	NPC46180
0.7436	Intermediate Similarity	NPC7163
0.7434	Intermediate Similarity	NPC286683
0.743	Intermediate Similarity	NPC169387
0.743	Intermediate Similarity	NPC477259
0.7429	Intermediate Similarity	NPC85613
0.7427	Intermediate Similarity	NPC329717
0.7425	Intermediate Similarity	NPC348849
0.7425	Intermediate Similarity	NPC178195
0.7423	Intermediate Similarity	NPC101755
0.7423	Intermediate Similarity	NPC304687
0.7423	Intermediate Similarity	NPC65574
0.7423	Intermediate Similarity	NPC80230
0.7423	Intermediate Similarity	NPC104024
0.7423	Intermediate Similarity	NPC25496
0.7417	Intermediate Similarity	NPC85830
0.7415	Intermediate Similarity	NPC69670
0.741	Intermediate Similarity	NPC104353
0.7403	Intermediate Similarity	NPC299010
0.7403	Intermediate Similarity	NPC19242
0.7403	Intermediate Similarity	NPC473716
0.7403	Intermediate Similarity	NPC475597
0.7399	Intermediate Similarity	NPC75958
0.7396	Intermediate Similarity	NPC474990
0.7391	Intermediate Similarity	NPC474966
0.7391	Intermediate Similarity	NPC185607
0.7389	Intermediate Similarity	NPC7018
0.7384	Intermediate Similarity	NPC284842
0.7378	Intermediate Similarity	NPC304821
0.7378	Intermediate Similarity	NPC469540
0.7378	Intermediate Similarity	NPC469539
0.7378	Intermediate Similarity	NPC211296
0.7375	Intermediate Similarity	NPC138438
0.7375	Intermediate Similarity	NPC908
0.7372	Intermediate Similarity	NPC471391
0.7372	Intermediate Similarity	NPC266848
0.7372	Intermediate Similarity	NPC471390
0.7372	Intermediate Similarity	NPC196937
0.7372	Intermediate Similarity	NPC136750
0.7372	Intermediate Similarity	NPC288743
0.7368	Intermediate Similarity	NPC127604
0.7368	Intermediate Similarity	NPC94155
0.7368	Intermediate Similarity	NPC34376
0.736	Intermediate Similarity	NPC102760
0.7353	Intermediate Similarity	NPC238405
0.7353	Intermediate Similarity	NPC62518
0.7353	Intermediate Similarity	NPC215375
0.7353	Intermediate Similarity	NPC257914
0.7353	Intermediate Similarity	NPC125713
0.7353	Intermediate Similarity	NPC104459
0.7351	Intermediate Similarity	NPC105513
0.7351	Intermediate Similarity	NPC267414
0.7345	Intermediate Similarity	NPC99723

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC169742 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	156
0.1-0.2	646
0.2-0.3	1063
0.3-0.4	2289
0.4-0.5	2549
0.5-0.6	1708
0.6-0.7	675
0.7-0.8	73
0.8-0.85	1
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8503	High Similarity	NPD2492	Phase 1
0.8431	Intermediate Similarity	NPD5297	Approved
0.7812	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD6386	Approved
0.773	Intermediate Similarity	NPD6385	Approved
0.7697	Intermediate Similarity	NPD5353	Approved
0.7692	Intermediate Similarity	NPD5242	Approved
0.7688	Intermediate Similarity	NPD3146	Approved
0.7688	Intermediate Similarity	NPD3688	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD4357	Discontinued
0.7595	Intermediate Similarity	NPD2654	Approved
0.7593	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7557	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6111	Discontinued
0.75	Intermediate Similarity	NPD2219	Phase 1
0.7453	Intermediate Similarity	NPD7124	Phase 2
0.744	Intermediate Similarity	NPD5019	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD7110	Phase 1
0.741	Intermediate Similarity	NPD6873	Phase 2
0.741	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7401	Intermediate Similarity	NPD7281	Phase 3
0.7401	Intermediate Similarity	NPD7280	Phase 3
0.7394	Intermediate Similarity	NPD824	Approved
0.7391	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD1337	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD6876	Approved
0.7349	Intermediate Similarity	NPD6875	Approved
0.7333	Intermediate Similarity	NPD4210	Discontinued
0.7326	Intermediate Similarity	NPD5006	Approved
0.7326	Intermediate Similarity	NPD5005	Approved
0.7301	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD7235	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD5978	Approved
0.7278	Intermediate Similarity	NPD743	Approved
0.7278	Intermediate Similarity	NPD5977	Approved
0.7267	Intermediate Similarity	NPD4237	Approved
0.7267	Intermediate Similarity	NPD4236	Phase 3
0.7244	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD3473	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD4585	Approved
0.7219	Intermediate Similarity	NPD6668	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD4420	Approved
0.7178	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD1670	Discontinued
0.7161	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD37	Approved
0.7152	Intermediate Similarity	NPD3705	Approved
0.7152	Intermediate Similarity	NPD1424	Approved
0.7134	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7128	Intermediate Similarity	NPD5457	Discontinued
0.7108	Intermediate Similarity	NPD1351	Approved
0.7108	Intermediate Similarity	NPD1349	Approved
0.7108	Intermediate Similarity	NPD1350	Approved
0.7101	Intermediate Similarity	NPD5089	Approved
0.7101	Intermediate Similarity	NPD5090	Approved
0.7089	Intermediate Similarity	NPD3142	Approved
0.7089	Intermediate Similarity	NPD3140	Approved
0.7083	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD5718	Phase 2
0.7066	Intermediate Similarity	NPD3639	Approved
0.7066	Intermediate Similarity	NPD3641	Approved
0.7066	Intermediate Similarity	NPD3640	Phase 3
0.7065	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD3818	Discontinued
0.7056	Intermediate Similarity	NPD7549	Discontinued
0.7047	Intermediate Similarity	NPD5536	Phase 2
0.7037	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD4967	Phase 2
0.7035	Intermediate Similarity	NPD4965	Approved
0.7035	Intermediate Similarity	NPD4966	Approved
0.7018	Intermediate Similarity	NPD2978	Approved
0.7018	Intermediate Similarity	NPD2977	Approved
0.7011	Intermediate Similarity	NPD5677	Discontinued
0.7006	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2653	Approved
0.6988	Remote Similarity	NPD7837	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD6618	Phase 2
0.6971	Remote Similarity	NPD7199	Phase 2
0.6959	Remote Similarity	NPD3383	Approved
0.6959	Remote Similarity	NPD3384	Approved
0.6959	Remote Similarity	NPD3382	Approved
0.6957	Remote Similarity	NPD6896	Approved
0.6957	Remote Similarity	NPD6895	Approved
0.6957	Remote Similarity	NPD7291	Discontinued
0.6954	Remote Similarity	NPD6234	Discontinued
0.6944	Remote Similarity	NPD6297	Approved
0.6943	Remote Similarity	NPD7607	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD4678	Approved
0.6941	Remote Similarity	NPD4675	Approved
0.6936	Remote Similarity	NPD6788	Approved
0.6936	Remote Similarity	NPD3882	Suspended
0.6935	Remote Similarity	NPD7296	Approved
0.6933	Remote Similarity	NPD1375	Discontinued
0.6927	Remote Similarity	NPD5312	Approved
0.6927	Remote Similarity	NPD5313	Approved
0.6906	Remote Similarity	NPD7039	Approved
0.6906	Remote Similarity	NPD7038	Approved
0.6897	Remote Similarity	NPD5604	Discontinued
0.6893	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.689	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.689	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD2981	Phase 2
0.6882	Remote Similarity	NPD4005	Discontinued
0.6879	Remote Similarity	NPD3817	Phase 2
0.6878	Remote Similarity	NPD5564	Approved
0.6872	Remote Similarity	NPD5940	Clinical (unspecified phase)
0.6868	Remote Similarity	NPD7132	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD919	Approved
0.6848	Remote Similarity	NPD3060	Approved
0.6839	Remote Similarity	NPD2983	Phase 2
0.6839	Remote Similarity	NPD2982	Phase 2
0.6836	Remote Similarity	NPD4166	Phase 2
0.6833	Remote Similarity	NPD7054	Approved
0.6828	Remote Similarity	NPD6377	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD3687	Approved
0.6824	Remote Similarity	NPD1653	Approved
0.6824	Remote Similarity	NPD3686	Approved
0.6821	Remote Similarity	NPD2801	Approved
0.6818	Remote Similarity	NPD5494	Approved
0.6811	Remote Similarity	NPD4084	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6971	Discontinued
0.68	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD3885	Approved
0.6796	Remote Similarity	NPD7472	Approved
0.6796	Remote Similarity	NPD5441	Clinical (unspecified phase)
0.6793	Remote Similarity	NPD6851	Approved
0.6793	Remote Similarity	NPD6853	Approved
0.6792	Remote Similarity	NPD3027	Phase 3
0.6784	Remote Similarity	NPD8158	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD2560	Approved
0.6782	Remote Similarity	NPD2563	Approved
0.6778	Remote Similarity	NPD2822	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD7177	Discontinued
0.6776	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD6841	Approved
0.6774	Remote Similarity	NPD4157	Discontinued
0.6774	Remote Similarity	NPD6843	Phase 3
0.6774	Remote Similarity	NPD6842	Approved
0.6772	Remote Similarity	NPD4413	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD3018	Phase 2
0.6763	Remote Similarity	NPD7248	Discontinued
0.6763	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.676	Remote Similarity	NPD3451	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD3157	Approved
0.6746	Remote Similarity	NPD3158	Phase 1
0.6744	Remote Similarity	NPD7028	Phase 2
0.6737	Remote Similarity	NPD7667	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD1420	Approved
0.6731	Remote Similarity	NPD1421	Approved
0.6731	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD1933	Approved
0.6725	Remote Similarity	NPD4124	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD5772	Approved
0.6724	Remote Similarity	NPD5773	Approved
0.6707	Remote Similarity	NPD4110	Phase 3
0.6707	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD7466	Approved
0.6704	Remote Similarity	NPD3926	Phase 2
0.6703	Remote Similarity	NPD7074	Phase 3
0.6702	Remote Similarity	NPD3808	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD4859	Phase 1
0.6688	Remote Similarity	NPD2423	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD1044	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD5967	Approved
0.6685	Remote Similarity	NPD7228	Approved
0.6685	Remote Similarity	NPD2163	Approved
0.6685	Remote Similarity	NPD7808	Phase 3
0.6685	Remote Similarity	NPD8252	Approved
0.6685	Remote Similarity	NPD8099	Discontinued
0.6685	Remote Similarity	NPD1247	Approved
0.6685	Remote Similarity	NPD8251	Approved
0.6667	Remote Similarity	NPD5976	Discontinued
0.6667	Remote Similarity	NPD6797	Phase 2
0.6667	Remote Similarity	NPD4481	Phase 3
0.6667	Remote Similarity	NPD2796	Approved
0.6667	Remote Similarity	NPD1934	Approved
0.6667	Remote Similarity	NPD5283	Phase 1
0.6667	Remote Similarity	NPD7317	Phase 3
0.665	Remote Similarity	NPD7827	Phase 1
0.6649	Remote Similarity	NPD5582	Discontinued
0.6649	Remote Similarity	NPD2971	Approved
0.6649	Remote Similarity	NPD2968	Approved
0.6648	Remote Similarity	NPD5710	Approved
0.6648	Remote Similarity	NPD8156	Discontinued
0.6648	Remote Similarity	NPD5711	Approved
0.6647	Remote Similarity	NPD4584	Approved
0.6647	Remote Similarity	NPD7447	Phase 1
0.6647	Remote Similarity	NPD5177	Phase 3
0.6647	Remote Similarity	NPD4162	Approved
0.6647	Remote Similarity	NPD4123	Phase 3
0.6646	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD1296	Phase 2
0.6632	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.663	Remote Similarity	NPD6720	Clinical (unspecified phase)

Structure

NPC169742 OpenBabel07101718222D 22 24 0 0 0 0 0 0 0 0999 V2000 0.9511 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 2.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 4.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 4.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6180 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 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 7 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 15 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 12 16 2 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	14782641
ChEMBL	CHEMBL465842
ZINC

Physicochemical Properties

Molecular Weight:	303.11
ALogP:	-0.9309
MLogP:	2.56
XLogP:	1.005
# Rotatable Bonds:	6
Polar Surface Area:	65.07
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	22

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