NPASS Natural Product

Natural Product: NPC226428

Natural Product ID:	NPC226428
Common Name:	Flavinantine
IUPAC Name:
Synonyms:	(+)-Flavinantine; Flavinantine
Molecular Formula:	C19H21NO4
Standard InCHIKey:	GSNZKNRMDZYEAI-AUUYWEPGSA-N
Standard InCHI:	InChI=1S/C19H21NO4/c1-20-5-4-19-10-18(24-3)16(22)9-13(19)14(20)6-11-7-17(23-2)15(21)8-12(11)19/h7-10,14,21H,4-6H2,1-3H3/t14-,19-/m1/s1
Canonical SMILES:	COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3cc(O)c(c1)OC)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
NPO10210	Artabotrys uncinatus	Species	Annonaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
IC50	2
Others	4

Activity Type	# Activity
Cell Line	1
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	9.3	ug/ml	11575948
NPT2	Others	Unspecified		IC50	=	9.7	ug/ml	11575948
NPT2	Others	Unspecified		Activity	=	17.5	%	9544561
NPT2	Others	Unspecified		Activity	=	6.3	%	9544561
NPT2	Others	Unspecified		Activity	=	3.5	%	9544561
NPT2	Others	Unspecified		Activity	=	2.1	%	9544561

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 NPC226428 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	1088
0.2-0.3	2852
0.3-0.4	8342
0.4-0.5	4435
0.5-0.6	7890
0.6-0.7	5341
0.7-0.8	646
0.8-0.85	98
0.85-0.9	18
0.9-0.95	1
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9803	High Similarity	NPC255607
0.9803	High Similarity	NPC3375
0.953	High Similarity	NPC85747
0.953	High Similarity	NPC8337
0.9024	High Similarity	NPC298339
0.8654	High Similarity	NPC476579
0.865	High Similarity	NPC470324
0.859	High Similarity	NPC88249
0.859	High Similarity	NPC220858
0.859	High Similarity	NPC192768
0.859	High Similarity	NPC97221
0.859	High Similarity	NPC151895
0.8581	High Similarity	NPC147390
0.8581	High Similarity	NPC246587
0.8581	High Similarity	NPC428
0.8581	High Similarity	NPC135538
0.8581	High Similarity	NPC476571
0.8581	High Similarity	NPC24233
0.8528	High Similarity	NPC124657
0.8516	High Similarity	NPC191376
0.8516	High Similarity	NPC321505
0.8516	High Similarity	NPC179825
0.8509	High Similarity	NPC475780
0.8405	Intermediate Similarity	NPC59567
0.8405	Intermediate Similarity	NPC324144
0.8395	Intermediate Similarity	NPC27410
0.8395	Intermediate Similarity	NPC166014
0.8387	Intermediate Similarity	NPC185838
0.8375	Intermediate Similarity	NPC189266
0.8375	Intermediate Similarity	NPC2413
0.8375	Intermediate Similarity	NPC204828
0.8375	Intermediate Similarity	NPC249797
0.8375	Intermediate Similarity	NPC295691
0.8375	Intermediate Similarity	NPC184026
0.8375	Intermediate Similarity	NPC127674
0.8375	Intermediate Similarity	NPC207757
0.8375	Intermediate Similarity	NPC278799
0.8375	Intermediate Similarity	NPC193949
0.8375	Intermediate Similarity	NPC469817
0.8375	Intermediate Similarity	NPC5238
0.8375	Intermediate Similarity	NPC110416
0.8375	Intermediate Similarity	NPC276588
0.8375	Intermediate Similarity	NPC39701
0.8375	Intermediate Similarity	NPC172765
0.8375	Intermediate Similarity	NPC54379
0.8365	Intermediate Similarity	NPC476580
0.8354	Intermediate Similarity	NPC306843
0.8354	Intermediate Similarity	NPC196447
0.8354	Intermediate Similarity	NPC253043
0.8354	Intermediate Similarity	NPC96603
0.8354	Intermediate Similarity	NPC477563
0.8354	Intermediate Similarity	NPC212794
0.8354	Intermediate Similarity	NPC136508
0.8354	Intermediate Similarity	NPC78222
0.8354	Intermediate Similarity	NPC13504
0.8352	Intermediate Similarity	NPC279665
0.8343	Intermediate Similarity	NPC21885
0.8323	Intermediate Similarity	NPC147091
0.8291	Intermediate Similarity	NPC477565
0.8291	Intermediate Similarity	NPC103379
0.8253	Intermediate Similarity	NPC205421
0.8253	Intermediate Similarity	NPC306555
0.8253	Intermediate Similarity	NPC474931
0.8253	Intermediate Similarity	NPC12053
0.8253	Intermediate Similarity	NPC81218
0.8253	Intermediate Similarity	NPC158376
0.8253	Intermediate Similarity	NPC145832
0.8253	Intermediate Similarity	NPC117188
0.825	Intermediate Similarity	NPC37272
0.8229	Intermediate Similarity	NPC196231
0.8221	Intermediate Similarity	NPC106786
0.8221	Intermediate Similarity	NPC118804
0.8221	Intermediate Similarity	NPC111485
0.821	Intermediate Similarity	NPC186063
0.821	Intermediate Similarity	NPC57512
0.8187	Intermediate Similarity	NPC32154
0.8187	Intermediate Similarity	NPC76213
0.8187	Intermediate Similarity	NPC277669
0.8182	Intermediate Similarity	NPC476569
0.8171	Intermediate Similarity	NPC205167
0.8165	Intermediate Similarity	NPC476151
0.8141	Intermediate Similarity	NPC476567
0.8141	Intermediate Similarity	NPC128019
0.8141	Intermediate Similarity	NPC136860
0.8137	Intermediate Similarity	NPC82285
0.8137	Intermediate Similarity	NPC133011
0.8129	Intermediate Similarity	NPC474915
0.8129	Intermediate Similarity	NPC188163
0.8129	Intermediate Similarity	NPC328750
0.8129	Intermediate Similarity	NPC213206
0.8122	Intermediate Similarity	NPC244191
0.8117	Intermediate Similarity	NPC231572
0.8107	Intermediate Similarity	NPC239775
0.8105	Intermediate Similarity	NPC131204
0.8105	Intermediate Similarity	NPC301050
0.8098	Intermediate Similarity	NPC323443
0.8098	Intermediate Similarity	NPC180756
0.8084	Intermediate Similarity	NPC476573
0.8084	Intermediate Similarity	NPC35627
0.8084	Intermediate Similarity	NPC81247
0.8072	Intermediate Similarity	NPC1229
0.807	Intermediate Similarity	NPC241704
0.8065	Intermediate Similarity	NPC314682
0.8063	Intermediate Similarity	NPC60538
0.8063	Intermediate Similarity	NPC207824
0.8061	Intermediate Similarity	NPC249274
0.8047	Intermediate Similarity	NPC477562
0.8047	Intermediate Similarity	NPC69712
0.8047	Intermediate Similarity	NPC26240
0.8024	Intermediate Similarity	NPC276944
0.8024	Intermediate Similarity	NPC4138
0.8024	Intermediate Similarity	NPC238530
0.8024	Intermediate Similarity	NPC121275
0.8024	Intermediate Similarity	NPC24465
0.8024	Intermediate Similarity	NPC284183
0.8024	Intermediate Similarity	NPC232514
0.8012	Intermediate Similarity	NPC329969
0.8012	Intermediate Similarity	NPC229166
0.8012	Intermediate Similarity	NPC128560
0.8012	Intermediate Similarity	NPC199465
0.8	Intermediate Similarity	NPC214629
0.7976	Intermediate Similarity	NPC53146
0.7976	Intermediate Similarity	NPC240841
0.7976	Intermediate Similarity	NPC317272
0.7976	Intermediate Similarity	NPC13916
0.7976	Intermediate Similarity	NPC268503
0.7976	Intermediate Similarity	NPC256012
0.7976	Intermediate Similarity	NPC250846
0.7976	Intermediate Similarity	NPC286790
0.7976	Intermediate Similarity	NPC264850
0.7976	Intermediate Similarity	NPC188120
0.7976	Intermediate Similarity	NPC42549
0.7975	Intermediate Similarity	NPC2295
0.7975	Intermediate Similarity	NPC477564
0.7975	Intermediate Similarity	NPC294249
0.7963	Intermediate Similarity	NPC326316
0.7963	Intermediate Similarity	NPC81733
0.7953	Intermediate Similarity	NPC192135
0.7953	Intermediate Similarity	NPC477020
0.7953	Intermediate Similarity	NPC66341
0.7941	Intermediate Similarity	NPC118274
0.7941	Intermediate Similarity	NPC168753
0.7937	Intermediate Similarity	NPC476144
0.7937	Intermediate Similarity	NPC210437
0.7937	Intermediate Similarity	NPC106295
0.7937	Intermediate Similarity	NPC51957
0.7937	Intermediate Similarity	NPC16107
0.7931	Intermediate Similarity	NPC305847
0.7929	Intermediate Similarity	NPC298979
0.7929	Intermediate Similarity	NPC210140
0.7927	Intermediate Similarity	NPC99659
0.7927	Intermediate Similarity	NPC325871
0.7919	Intermediate Similarity	NPC320223
0.7919	Intermediate Similarity	NPC114364
0.7917	Intermediate Similarity	NPC39103
0.7917	Intermediate Similarity	NPC2770
0.7914	Intermediate Similarity	NPC223124
0.7914	Intermediate Similarity	NPC26601
0.7904	Intermediate Similarity	NPC60186
0.7901	Intermediate Similarity	NPC293624
0.7901	Intermediate Similarity	NPC274026
0.7895	Intermediate Similarity	NPC476331
0.7888	Intermediate Similarity	NPC7467
0.7886	Intermediate Similarity	NPC302449
0.7886	Intermediate Similarity	NPC116284
0.7882	Intermediate Similarity	NPC66573
0.7874	Intermediate Similarity	NPC149285
0.7869	Intermediate Similarity	NPC254045
0.7869	Intermediate Similarity	NPC201055
0.7869	Intermediate Similarity	NPC151470
0.7869	Intermediate Similarity	NPC64576
0.7853	Intermediate Similarity	NPC218575
0.7844	Intermediate Similarity	NPC202839
0.7844	Intermediate Similarity	NPC66678
0.7836	Intermediate Similarity	NPC109925
0.7831	Intermediate Similarity	NPC475326
0.7831	Intermediate Similarity	NPC476572
0.7826	Intermediate Similarity	NPC97086
0.7821	Intermediate Similarity	NPC193528
0.7811	Intermediate Similarity	NPC134858
0.7811	Intermediate Similarity	NPC306669
0.7792	Intermediate Similarity	NPC325568
0.7791	Intermediate Similarity	NPC223125
0.7778	Intermediate Similarity	NPC475959
0.7778	Intermediate Similarity	NPC130941
0.7778	Intermediate Similarity	NPC83198
0.7778	Intermediate Similarity	NPC204908
0.7771	Intermediate Similarity	NPC474507
0.7753	Intermediate Similarity	NPC162694
0.7751	Intermediate Similarity	NPC233650
0.7744	Intermediate Similarity	NPC476568
0.7738	Intermediate Similarity	NPC97072
0.7738	Intermediate Similarity	NPC215829
0.7738	Intermediate Similarity	NPC4304
0.773	Intermediate Similarity	NPC67346
0.773	Intermediate Similarity	NPC232533
0.773	Intermediate Similarity	NPC243483
0.773	Intermediate Similarity	NPC92541
0.773	Intermediate Similarity	NPC219162
0.7727	Intermediate Similarity	NPC476574

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC226428 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	153
0.1-0.2	679
0.2-0.3	971
0.3-0.4	2008
0.4-0.5	2670
0.5-0.6	1751
0.6-0.7	761
0.7-0.8	158
0.8-0.85	8
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9024	High Similarity	NPD3534	Clinical (unspecified phase)
0.865	High Similarity	NPD2898	Approved
0.8313	Intermediate Similarity	NPD27	Approved
0.8313	Intermediate Similarity	NPD2489	Approved
0.8171	Intermediate Similarity	NPD2488	Approved
0.8171	Intermediate Similarity	NPD2490	Approved
0.8144	Intermediate Similarity	NPD2969	Approved
0.8144	Intermediate Similarity	NPD2970	Approved
0.8129	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.8089	Intermediate Similarity	NPD5241	Discontinued
0.7976	Intermediate Similarity	NPD3051	Approved
0.7937	Intermediate Similarity	NPD4584	Approved
0.7931	Intermediate Similarity	NPD7312	Approved
0.7931	Intermediate Similarity	NPD7311	Approved
0.7931	Intermediate Similarity	NPD7313	Approved
0.7931	Intermediate Similarity	NPD7310	Approved
0.7886	Intermediate Similarity	NPD7309	Approved
0.7882	Intermediate Similarity	NPD4481	Phase 3
0.787	Intermediate Similarity	NPD4010	Discontinued
0.7869	Intermediate Similarity	NPD2494	Approved
0.7869	Intermediate Similarity	NPD3452	Approved
0.7869	Intermediate Similarity	NPD2493	Approved
0.7869	Intermediate Similarity	NPD3450	Approved
0.7853	Intermediate Similarity	NPD7906	Approved
0.784	Intermediate Similarity	NPD3641	Approved
0.784	Intermediate Similarity	NPD3639	Approved
0.784	Intermediate Similarity	NPD3640	Phase 3
0.7792	Intermediate Similarity	NPD3110	Approved
0.7792	Intermediate Similarity	NPD3109	Approved
0.7764	Intermediate Similarity	NPD2420	Approved
0.7764	Intermediate Similarity	NPD2421	Approved
0.7742	Intermediate Similarity	NPD4582	Approved
0.7742	Intermediate Similarity	NPD4583	Approved
0.773	Intermediate Similarity	NPD3448	Approved
0.773	Intermediate Similarity	NPD3057	Approved
0.773	Intermediate Similarity	NPD2491	Approved
0.7727	Intermediate Similarity	NPD2971	Approved
0.7727	Intermediate Similarity	NPD4577	Approved
0.7727	Intermediate Similarity	NPD2968	Approved
0.7727	Intermediate Similarity	NPD4578	Approved
0.7716	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD4663	Approved
0.7688	Intermediate Similarity	NPD4002	Approved
0.7688	Intermediate Similarity	NPD4004	Approved
0.7651	Intermediate Similarity	NPD4773	Phase 2
0.7651	Intermediate Similarity	NPD4772	Phase 2
0.765	Intermediate Similarity	NPD2975	Approved
0.765	Intermediate Similarity	NPD2974	Approved
0.765	Intermediate Similarity	NPD2973	Approved
0.7634	Intermediate Similarity	NPD2972	Approved
0.7634	Intermediate Similarity	NPD3533	Approved
0.7633	Intermediate Similarity	NPD7833	Phase 2
0.7633	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD7831	Phase 2
0.7605	Intermediate Similarity	NPD7298	Approved
0.7593	Intermediate Similarity	NPD2422	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD3637	Approved
0.7582	Intermediate Similarity	NPD3635	Approved
0.7582	Intermediate Similarity	NPD3636	Approved
0.756	Intermediate Similarity	NPD4585	Approved
0.7553	Intermediate Similarity	NPD4040	Phase 1
0.7548	Intermediate Similarity	NPD5718	Phase 2
0.7545	Intermediate Similarity	NPD5090	Approved
0.7545	Intermediate Similarity	NPD5089	Approved
0.7544	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD3594	Approved
0.7532	Intermediate Similarity	NPD6896	Approved
0.7532	Intermediate Similarity	NPD2606	Approved
0.7532	Intermediate Similarity	NPD2605	Approved
0.7532	Intermediate Similarity	NPD6895	Approved
0.7532	Intermediate Similarity	NPD3595	Approved
0.753	Intermediate Similarity	NPD4017	Approved
0.7527	Intermediate Similarity	NPD4580	Approved
0.7486	Intermediate Similarity	NPD8053	Approved
0.7486	Intermediate Similarity	NPD8054	Approved
0.7484	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD5155	Approved
0.7484	Intermediate Similarity	NPD5156	Approved
0.7484	Intermediate Similarity	NPD1753	Discontinued
0.7456	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7433	Intermediate Similarity	NPD4107	Approved
0.7424	Intermediate Similarity	NPD7907	Approved
0.7412	Intermediate Similarity	NPD5977	Approved
0.7412	Intermediate Similarity	NPD5978	Approved
0.7409	Intermediate Similarity	NPD5676	Approved
0.7378	Intermediate Similarity	NPD3845	Phase 1
0.7356	Intermediate Similarity	NPD6071	Discontinued
0.7349	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD7047	Phase 3
0.7345	Intermediate Similarity	NPD6042	Phase 2
0.7345	Intermediate Similarity	NPD42	Phase 2
0.733	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD2563	Approved
0.731	Intermediate Similarity	NPD2560	Approved
0.7308	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD4727	Phase 1
0.7305	Intermediate Similarity	NPD6030	Approved
0.7305	Intermediate Similarity	NPD6031	Approved
0.7302	Intermediate Similarity	NPD4482	Phase 3
0.7301	Intermediate Similarity	NPD3060	Approved
0.7299	Intermediate Similarity	NPD6107	Approved
0.7278	Intermediate Similarity	NPD2674	Phase 3
0.7263	Intermediate Similarity	NPD6297	Approved
0.7251	Intermediate Similarity	NPD2977	Approved
0.7251	Intermediate Similarity	NPD2978	Approved
0.7241	Intermediate Similarity	NPD4666	Phase 3
0.7236	Intermediate Similarity	NPD4665	Approved
0.7236	Intermediate Similarity	NPD4111	Phase 1
0.7235	Intermediate Similarity	NPD7110	Phase 1
0.7235	Intermediate Similarity	NPD6873	Phase 2
0.7235	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD824	Approved
0.7212	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD5177	Phase 3
0.7184	Intermediate Similarity	NPD5709	Phase 3
0.7178	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7124	Phase 2
0.7159	Intermediate Similarity	NPD4166	Phase 2
0.7151	Intermediate Similarity	NPD5096	Phase 3
0.7151	Intermediate Similarity	NPD3933	Discontinued
0.7151	Intermediate Similarity	NPD5095	Phase 3
0.7143	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2492	Phase 1
0.7126	Intermediate Similarity	NPD3124	Discontinued
0.7125	Intermediate Similarity	NPD3620	Phase 2
0.7125	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD4005	Discontinued
0.7115	Intermediate Similarity	NPD3053	Approved
0.7115	Intermediate Similarity	NPD3055	Approved
0.7107	Intermediate Similarity	NPD3144	Approved
0.7107	Intermediate Similarity	NPD3145	Approved
0.7104	Intermediate Similarity	NPD6853	Approved
0.7104	Intermediate Similarity	NPD6851	Approved
0.7101	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD8252	Approved
0.7095	Intermediate Similarity	NPD8099	Discontinued
0.7095	Intermediate Similarity	NPD8251	Approved
0.7091	Intermediate Similarity	NPD4162	Approved
0.7091	Intermediate Similarity	NPD4236	Phase 3
0.7091	Intermediate Similarity	NPD4237	Approved
0.7088	Intermediate Similarity	NPD3936	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD7291	Discontinued
0.7076	Intermediate Similarity	NPD6876	Approved
0.7076	Intermediate Similarity	NPD6875	Approved
0.7073	Intermediate Similarity	NPD4726	Approved
0.7073	Intermediate Similarity	NPD4725	Approved
0.7073	Intermediate Similarity	NPD4721	Approved
0.7066	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD2667	Approved
0.7059	Intermediate Similarity	NPD2668	Approved
0.7056	Intermediate Similarity	NPD5312	Approved
0.7056	Intermediate Similarity	NPD5313	Approved
0.7056	Intermediate Similarity	NPD8156	Discontinued
0.7048	Intermediate Similarity	NPD5754	Discontinued
0.7044	Intermediate Similarity	NPD6997	Phase 2
0.7032	Intermediate Similarity	NPD2230	Approved
0.7032	Intermediate Similarity	NPD2233	Approved
0.7032	Intermediate Similarity	NPD2232	Approved
0.7022	Intermediate Similarity	NPD6688	Approved
0.7022	Intermediate Similarity	NPD6687	Approved
0.7018	Intermediate Similarity	NPD3866	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD1632	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD7802	Discontinued
0.7	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD4093	Discontinued
0.6982	Remote Similarity	NPD3645	Discontinued
0.6982	Remote Similarity	NPD3536	Discontinued
0.6982	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6973	Remote Similarity	NPD5087	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD6788	Approved
0.6962	Remote Similarity	NPD7905	Discontinued
0.6954	Remote Similarity	NPD5773	Approved
0.6954	Remote Similarity	NPD5772	Approved
0.6947	Remote Similarity	NPD7667	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD6331	Phase 2
0.6936	Remote Similarity	NPD6386	Approved
0.6936	Remote Similarity	NPD6385	Approved
0.6933	Remote Similarity	NPD817	Approved
0.6933	Remote Similarity	NPD823	Approved
0.6928	Remote Similarity	NPD4257	Approved
0.6928	Remote Similarity	NPD4256	Phase 2
0.6928	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD7037	Approved
0.6919	Remote Similarity	NPD3455	Phase 2
0.6919	Remote Similarity	NPD6618	Phase 2
0.6915	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD2238	Phase 2
0.6914	Remote Similarity	NPD4060	Phase 1
0.6905	Remote Similarity	NPD3692	Discontinued
0.6904	Remote Similarity	NPD4859	Phase 1
0.6902	Remote Similarity	NPD7549	Discontinued
0.6901	Remote Similarity	NPD2122	Discontinued
0.689	Remote Similarity	NPD6111	Discontinued

Structure

CID226428 OpenBabel06191716022D 24 27 0 0 1 0 0 0 0 0999 V2000 -2.9549 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 2.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 -1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 2.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 3.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 1.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 2.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 0.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1229 1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 1.8464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7228 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7226 2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8006 1.3849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0627 2.6459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 -1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 2.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8001 -0.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 6 1 6 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	5491380
ChEMBL	CHEMBL463084
ZINC

Physicochemical Properties

Molecular Weight:	327.15
ALogP:	-0.6163
MLogP:	3
XLogP:	1.283
# Rotatable Bonds:	6
Polar Surface Area:	59
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	24

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