NPASS Natural Product

Natural Product: NPC58661

Natural Product ID:	NPC58661
Common Name:	(6,7-Dimethoxy-3,4-Dihydroisoquinolin-1-Yl)-(4-Methoxyphenyl)Methanone
IUPAC Name:	(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone
Synonyms:
Molecular Formula:	C19H19NO4
Standard InCHIKey:	CIYCAXMLCWXOKZ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H19NO4/c1-22-14-6-4-12(5-7-14)19(21)18-15-11-17(24-3)16(23-2)10-13(15)8-9-20-18/h4-7,10-11H,8-9H2,1-3H3
Canonical SMILES:	COc1ccc(cc1)C(=O)C1=NCCc2c1cc(OC)c(c2)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO8327	Cyclopia subternata	Species	Fabaceae	Eukaryota	UNPD*
NPO818	Erysimum cuspidatum	Species	Brassicaceae	Eukaryota	UNPD*
NPO5218	Seriphidium finitum	Species	Asteraceae	Eukaryota	UNPD*
NPO24782	Aquilegia hybrid	Species	Ranunculaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	1
Others	3

Activity Type	# Activity
Others	4

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	Inhibition	=	19	%	12873516
NPT2	Others	Unspecified	IC50	=	87000	nM	12873516
NPT2	Others	Unspecified	Inhibition	=	10	%	12873516
NPT2	Others	Unspecified	Inhibition	=	41	%	12873516

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 NPC58661 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	187
0.1-0.2	1090
0.2-0.3	2967
0.3-0.4	8615
0.4-0.5	3439
0.5-0.6	5584
0.6-0.7	8213
0.7-0.8	779
0.8-0.85	10
0.85-0.9	5
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8994	High Similarity	NPC207721
0.8926	High Similarity	NPC470019
0.8808	High Similarity	NPC478189
0.8792	High Similarity	NPC290404
0.8553	High Similarity	NPC153644
0.8411	Intermediate Similarity	NPC80928
0.8343	Intermediate Similarity	NPC474009
0.8311	Intermediate Similarity	NPC95485
0.8311	Intermediate Similarity	NPC89504
0.8311	Intermediate Similarity	NPC88065
0.8199	Intermediate Similarity	NPC153631
0.8077	Intermediate Similarity	NPC161544
0.8056	Intermediate Similarity	NPC30216
0.8026	Intermediate Similarity	NPC470962
0.8013	Intermediate Similarity	NPC471316
0.7974	Intermediate Similarity	NPC223336
0.7935	Intermediate Similarity	NPC86455
0.7935	Intermediate Similarity	NPC176030
0.7935	Intermediate Similarity	NPC192597
0.7935	Intermediate Similarity	NPC229218
0.7935	Intermediate Similarity	NPC125134
0.7935	Intermediate Similarity	NPC169214
0.7935	Intermediate Similarity	NPC141817
0.7935	Intermediate Similarity	NPC137920
0.7922	Intermediate Similarity	NPC138438
0.7922	Intermediate Similarity	NPC908
0.7862	Intermediate Similarity	NPC474691
0.7857	Intermediate Similarity	NPC303581
0.7857	Intermediate Similarity	NPC67978
0.7857	Intermediate Similarity	NPC227683
0.7852	Intermediate Similarity	NPC476570
0.7844	Intermediate Similarity	NPC86469
0.7834	Intermediate Similarity	NPC472836
0.7823	Intermediate Similarity	NPC301713
0.7812	Intermediate Similarity	NPC476568
0.7799	Intermediate Similarity	NPC474999
0.7792	Intermediate Similarity	NPC33011
0.7778	Intermediate Similarity	NPC225245
0.7765	Intermediate Similarity	NPC308267
0.7748	Intermediate Similarity	NPC153453
0.7733	Intermediate Similarity	NPC66905
0.7711	Intermediate Similarity	NPC476569
0.7707	Intermediate Similarity	NPC185607
0.7703	Intermediate Similarity	NPC177925
0.7702	Intermediate Similarity	NPC119669
0.7692	Intermediate Similarity	NPC28398
0.7688	Intermediate Similarity	NPC469539
0.7688	Intermediate Similarity	NPC469540
0.7688	Intermediate Similarity	NPC470088
0.7682	Intermediate Similarity	NPC214869
0.7674	Intermediate Similarity	NPC121400
0.7658	Intermediate Similarity	NPC469978
0.7647	Intermediate Similarity	NPC11147
0.7636	Intermediate Similarity	NPC216816
0.7632	Intermediate Similarity	NPC183103
0.7622	Intermediate Similarity	NPC469954
0.7616	Intermediate Similarity	NPC114102
0.761	Intermediate Similarity	NPC308006
0.7578	Intermediate Similarity	NPC182119
0.7566	Intermediate Similarity	NPC118419
0.7564	Intermediate Similarity	NPC44573
0.7562	Intermediate Similarity	NPC73416
0.7562	Intermediate Similarity	NPC160777
0.7562	Intermediate Similarity	NPC471590
0.7561	Intermediate Similarity	NPC474993
0.755	Intermediate Similarity	NPC35961
0.755	Intermediate Similarity	NPC304622
0.755	Intermediate Similarity	NPC52029
0.755	Intermediate Similarity	NPC195749
0.7548	Intermediate Similarity	NPC77955
0.7547	Intermediate Similarity	NPC5462
0.7547	Intermediate Similarity	NPC239608
0.7547	Intermediate Similarity	NPC46161
0.7547	Intermediate Similarity	NPC46880
0.7547	Intermediate Similarity	NPC476054
0.7546	Intermediate Similarity	NPC58310
0.7546	Intermediate Similarity	NPC295977
0.7533	Intermediate Similarity	NPC123228
0.7533	Intermediate Similarity	NPC151167
0.7533	Intermediate Similarity	NPC5018
0.7533	Intermediate Similarity	NPC123722
0.7533	Intermediate Similarity	NPC276466
0.7531	Intermediate Similarity	NPC472839
0.7516	Intermediate Similarity	NPC213206
0.7516	Intermediate Similarity	NPC195919
0.7516	Intermediate Similarity	NPC474915
0.7516	Intermediate Similarity	NPC328750
0.7516	Intermediate Similarity	NPC120924
0.7516	Intermediate Similarity	NPC216314
0.7516	Intermediate Similarity	NPC188163
0.7515	Intermediate Similarity	NPC57512
0.7514	Intermediate Similarity	NPC222524
0.7514	Intermediate Similarity	NPC35680
0.75	Intermediate Similarity	NPC113089
0.75	Intermediate Similarity	NPC472838
0.75	Intermediate Similarity	NPC474414
0.75	Intermediate Similarity	NPC91694
0.75	Intermediate Similarity	NPC185738
0.75	Intermediate Similarity	NPC144283
0.75	Intermediate Similarity	NPC306011
0.75	Intermediate Similarity	NPC229787
0.75	Intermediate Similarity	NPC300603
0.7485	Intermediate Similarity	NPC8337
0.7485	Intermediate Similarity	NPC476579
0.7485	Intermediate Similarity	NPC85747
0.7483	Intermediate Similarity	NPC155838
0.7469	Intermediate Similarity	NPC470511
0.7469	Intermediate Similarity	NPC58373
0.7467	Intermediate Similarity	NPC303680
0.7467	Intermediate Similarity	NPC90128
0.7467	Intermediate Similarity	NPC179777
0.7467	Intermediate Similarity	NPC84076
0.7467	Intermediate Similarity	NPC474737
0.7458	Intermediate Similarity	NPC18306
0.7455	Intermediate Similarity	NPC164912
0.7453	Intermediate Similarity	NPC136278
0.7453	Intermediate Similarity	NPC30890
0.7452	Intermediate Similarity	NPC314682
0.7451	Intermediate Similarity	NPC239134
0.7451	Intermediate Similarity	NPC164295
0.7439	Intermediate Similarity	NPC85131
0.7439	Intermediate Similarity	NPC476580
0.7439	Intermediate Similarity	NPC18614
0.7438	Intermediate Similarity	NPC50954
0.7438	Intermediate Similarity	NPC9966
0.7438	Intermediate Similarity	NPC70853
0.7436	Intermediate Similarity	NPC471182
0.7436	Intermediate Similarity	NPC324929
0.7436	Intermediate Similarity	NPC249899
0.7429	Intermediate Similarity	NPC27887
0.7425	Intermediate Similarity	NPC474983
0.7423	Intermediate Similarity	NPC476058
0.7419	Intermediate Similarity	NPC311339
0.7417	Intermediate Similarity	NPC153990
0.7417	Intermediate Similarity	NPC251571
0.7417	Intermediate Similarity	NPC16651
0.7417	Intermediate Similarity	NPC286683
0.7417	Intermediate Similarity	NPC32163
0.7415	Intermediate Similarity	NPC295317
0.7412	Intermediate Similarity	NPC3906
0.7407	Intermediate Similarity	NPC39361
0.7407	Intermediate Similarity	NPC12377
0.7401	Intermediate Similarity	NPC116007
0.74	Intermediate Similarity	NPC53305
0.74	Intermediate Similarity	NPC473626
0.74	Intermediate Similarity	NPC257589
0.7394	Intermediate Similarity	NPC473201
0.7394	Intermediate Similarity	NPC78505
0.7394	Intermediate Similarity	NPC118427
0.7394	Intermediate Similarity	NPC302783
0.7391	Intermediate Similarity	NPC309169
0.7391	Intermediate Similarity	NPC207732
0.7391	Intermediate Similarity	NPC182842
0.7391	Intermediate Similarity	NPC196941
0.7391	Intermediate Similarity	NPC293201
0.7389	Intermediate Similarity	NPC186647
0.7386	Intermediate Similarity	NPC298339
0.7382	Intermediate Similarity	NPC236668
0.7381	Intermediate Similarity	NPC475780
0.7381	Intermediate Similarity	NPC135006
0.7378	Intermediate Similarity	NPC237441
0.7378	Intermediate Similarity	NPC300983
0.7378	Intermediate Similarity	NPC52475
0.7375	Intermediate Similarity	NPC29536
0.7375	Intermediate Similarity	NPC28326
0.7363	Intermediate Similarity	NPC470023
0.7362	Intermediate Similarity	NPC205522
0.7362	Intermediate Similarity	NPC299923
0.7362	Intermediate Similarity	NPC52692
0.7358	Intermediate Similarity	NPC78987
0.7358	Intermediate Similarity	NPC82336
0.7355	Intermediate Similarity	NPC470406
0.7351	Intermediate Similarity	NPC474264
0.7351	Intermediate Similarity	NPC276014
0.7351	Intermediate Similarity	NPC92207
0.7351	Intermediate Similarity	NPC127937
0.7351	Intermediate Similarity	NPC154275
0.7346	Intermediate Similarity	NPC157133
0.7344	Intermediate Similarity	NPC146976
0.7342	Intermediate Similarity	NPC284409
0.7342	Intermediate Similarity	NPC77572
0.7341	Intermediate Similarity	NPC198075
0.7333	Intermediate Similarity	NPC189270
0.7333	Intermediate Similarity	NPC5840
0.7329	Intermediate Similarity	NPC119663
0.7326	Intermediate Similarity	NPC66573
0.7325	Intermediate Similarity	NPC160607
0.7325	Intermediate Similarity	NPC204848
0.7325	Intermediate Similarity	NPC41473
0.7325	Intermediate Similarity	NPC312770
0.7325	Intermediate Similarity	NPC14600
0.7325	Intermediate Similarity	NPC193528
0.7322	Intermediate Similarity	NPC470021
0.7321	Intermediate Similarity	NPC213401
0.7317	Intermediate Similarity	NPC63256
0.7317	Intermediate Similarity	NPC203747
0.7317	Intermediate Similarity	NPC474556
0.7317	Intermediate Similarity	NPC265473
0.7317	Intermediate Similarity	NPC10304
0.7317	Intermediate Similarity	NPC474903

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC58661 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	161
0.1-0.2	725
0.2-0.3	874
0.3-0.4	1722
0.4-0.5	2624
0.5-0.6	1986
0.6-0.7	968
0.7-0.8	97
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
0.8467	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD5977	Approved
0.8239	Intermediate Similarity	NPD5978	Approved
0.8129	Intermediate Similarity	NPD7291	Discontinued
0.7937	Intermediate Similarity	NPD6385	Approved
0.7937	Intermediate Similarity	NPD6386	Approved
0.7925	Intermediate Similarity	NPD4005	Discontinued
0.7911	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7826	Intermediate Similarity	NPD7110	Phase 1
0.7826	Intermediate Similarity	NPD6873	Phase 2
0.7826	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD6875	Approved
0.7764	Intermediate Similarity	NPD6876	Approved
0.7733	Intermediate Similarity	NPD5111	Phase 2
0.7733	Intermediate Similarity	NPD5109	Approved
0.7733	Intermediate Similarity	NPD5110	Phase 2
0.7647	Intermediate Similarity	NPD2822	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD6331	Phase 2
0.7628	Intermediate Similarity	NPD3655	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD3640	Phase 3
0.7578	Intermediate Similarity	NPD3639	Approved
0.7578	Intermediate Similarity	NPD3641	Approved
0.7574	Intermediate Similarity	NPD5242	Approved
0.7516	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD3823	Discontinued
0.75	Intermediate Similarity	NPD5536	Phase 2
0.7456	Intermediate Similarity	NPD2821	Approved
0.745	Intermediate Similarity	NPD2922	Phase 1
0.744	Intermediate Similarity	NPD6862	Phase 2
0.7432	Intermediate Similarity	NPD3972	Approved
0.7403	Intermediate Similarity	NPD3142	Approved
0.7403	Intermediate Similarity	NPD3140	Approved
0.7386	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD1669	Approved
0.7362	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7356	Intermediate Similarity	NPD2325	Approved
0.7333	Intermediate Similarity	NPD1337	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD1876	Approved
0.7333	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD4413	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD5090	Approved
0.7289	Intermediate Similarity	NPD5089	Approved
0.7283	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD6377	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD824	Approved
0.7273	Intermediate Similarity	NPD5718	Phase 2
0.7273	Intermediate Similarity	NPD3455	Phase 2
0.7262	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD6896	Approved
0.7261	Intermediate Similarity	NPD6895	Approved
0.7255	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7247	Intermediate Similarity	NPD6618	Phase 2
0.7239	Intermediate Similarity	NPD4584	Approved
0.7226	Intermediate Similarity	NPD2674	Phase 3
0.7225	Intermediate Similarity	NPD6894	Phase 1
0.7222	Intermediate Similarity	NPD5283	Phase 1
0.7208	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD2808	Discontinued
0.7178	Intermediate Similarity	NPD4357	Discontinued
0.7175	Intermediate Similarity	NPD7038	Approved
0.7175	Intermediate Similarity	NPD7039	Approved
0.717	Intermediate Similarity	NPD2161	Phase 2
0.7162	Intermediate Similarity	NPD1651	Approved
0.716	Intermediate Similarity	NPD5241	Discontinued
0.716	Intermediate Similarity	NPD2379	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD4997	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD4123	Phase 3
0.7112	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD7315	Approved
0.7108	Intermediate Similarity	NPD2883	Discontinued
0.7107	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7104	Intermediate Similarity	NPD3819	Phase 2
0.7091	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD9494	Approved
0.7076	Intermediate Similarity	NPD1307	Phase 2
0.7076	Intermediate Similarity	NPD1309	Phase 2
0.7073	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD2651	Approved
0.7066	Intermediate Similarity	NPD2649	Approved
0.7062	Intermediate Similarity	NPD7225	Discontinued
0.7055	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD3145	Approved
0.7051	Intermediate Similarity	NPD3144	Approved
0.7048	Intermediate Similarity	NPD6030	Approved
0.7048	Intermediate Similarity	NPD6031	Approved
0.7048	Intermediate Similarity	NPD5586	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD3873	Phase 3
0.7048	Intermediate Similarity	NPD3869	Phase 3
0.7047	Intermediate Similarity	NPD5914	Approved
0.7043	Intermediate Similarity	NPD5564	Approved
0.7041	Intermediate Similarity	NPD7577	Discontinued
0.7024	Intermediate Similarity	NPD6502	Phase 2
0.7013	Intermediate Similarity	NPD2798	Approved
0.7006	Intermediate Similarity	NPD3965	Phase 1
0.7	Intermediate Similarity	NPD2968	Approved
0.7	Intermediate Similarity	NPD2801	Approved
0.7	Intermediate Similarity	NPD2971	Approved
0.6994	Remote Similarity	NPD5494	Approved
0.6994	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD2653	Approved
0.6977	Remote Similarity	NPD4055	Discovery
0.6964	Remote Similarity	NPD4017	Approved
0.6959	Remote Similarity	NPD3817	Phase 2
0.6959	Remote Similarity	NPD5353	Approved
0.6957	Remote Similarity	NPD2796	Approved
0.6954	Remote Similarity	NPD8149	Discontinued
0.6949	Remote Similarity	NPD7177	Discontinued
0.6944	Remote Similarity	NPD7132	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD3812	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD1934	Approved
0.6941	Remote Similarity	NPD6844	Discontinued
0.6931	Remote Similarity	NPD4107	Approved
0.6928	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD3146	Approved
0.6928	Remote Similarity	NPD4739	Approved
0.6927	Remote Similarity	NPD6297	Approved
0.6927	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2592	Discontinued
0.6923	Remote Similarity	NPD4675	Approved
0.6923	Remote Similarity	NPD4678	Approved
0.6919	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6915	Remote Similarity	NPD4420	Approved
0.6914	Remote Similarity	NPD6232	Discontinued
0.6914	Remote Similarity	NPD1375	Discontinued
0.6909	Remote Similarity	NPD7124	Phase 2
0.6908	Remote Similarity	NPD1281	Approved
0.6901	Remote Similarity	NPD4585	Approved
0.6894	Remote Similarity	NPD4108	Discontinued
0.6894	Remote Similarity	NPD3748	Approved
0.6893	Remote Similarity	NPD7473	Discontinued
0.689	Remote Similarity	NPD4110	Phase 3
0.689	Remote Similarity	NPD4628	Phase 3
0.689	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD7526	Approved
0.6886	Remote Similarity	NPD52	Approved
0.6885	Remote Similarity	NPD4084	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD4466	Phase 1
0.6878	Remote Similarity	NPD7565	Approved
0.6875	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD7153	Discontinued
0.6871	Remote Similarity	NPD2897	Discontinued
0.6871	Remote Similarity	NPD1044	Clinical (unspecified phase)
0.686	Remote Similarity	NPD5967	Approved
0.6855	Remote Similarity	NPD2979	Phase 3
0.6852	Remote Similarity	NPD4477	Approved
0.6852	Remote Similarity	NPD2438	Suspended
0.6852	Remote Similarity	NPD4476	Approved
0.6851	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD7131	Phase 3
0.6845	Remote Similarity	NPD3473	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD6280	Approved
0.6842	Remote Similarity	NPD7298	Approved
0.6842	Remote Similarity	NPD7317	Phase 3
0.6842	Remote Similarity	NPD6279	Approved
0.6842	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD2898	Approved
0.6832	Remote Similarity	NPD743	Approved
0.6829	Remote Similarity	NPD2654	Approved
0.6829	Remote Similarity	NPD3060	Approved
0.6829	Remote Similarity	NPD4162	Approved
0.6821	Remote Similarity	NPD3882	Suspended
0.6818	Remote Similarity	NPD3676	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD5313	Approved
0.6816	Remote Similarity	NPD5312	Approved
0.6816	Remote Similarity	NPD5844	Phase 1
0.6813	Remote Similarity	NPD7546	Discontinued
0.6813	Remote Similarity	NPD1933	Approved
0.6811	Remote Similarity	NPD7235	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD7667	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD4482	Phase 3
0.6802	Remote Similarity	NPD7819	Suspended
0.6802	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD5563	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6746	Phase 2
0.6797	Remote Similarity	NPD6287	Discontinued
0.6792	Remote Similarity	NPD1726	Clinical (unspecified phase)
0.679	Remote Similarity	NPD1510	Phase 2
0.6786	Remote Similarity	NPD1975	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD5890	Approved
0.6784	Remote Similarity	NPD5889	Approved
0.6782	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.678	Remote Similarity	NPD3926	Phase 2
0.6778	Remote Similarity	NPD5441	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD3920	Phase 2
0.6776	Remote Similarity	NPD2667	Approved
0.6776	Remote Similarity	NPD6851	Approved
0.6776	Remote Similarity	NPD2668	Approved
0.6776	Remote Similarity	NPD6853	Approved
0.6774	Remote Similarity	NPD1283	Approved
0.6774	Remote Similarity	NPD2488	Approved
0.6774	Remote Similarity	NPD2490	Approved
0.6772	Remote Similarity	NPD1024	Discontinued
0.6771	Remote Similarity	NPD5006	Approved
0.6771	Remote Similarity	NPD5005	Approved

Structure

CID58661 OpenBabel06191715392D 24 26 0 0 0 0 0 0 0 0999 V2000 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 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 0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 12 2 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 14 22 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	2752158
ChEMBL	CHEMBL92672
ZINC

Physicochemical Properties

Molecular Weight:	325.13
ALogP:	-0.4818
MLogP:	3
XLogP:	2.775
# Rotatable Bonds:	8
Polar Surface Area:	57.12
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	24

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