NPASS Natural Product

Natural Product: NPC283079

Natural Product ID:	NPC283079
Common Name:	N-[2-(2,2-Dimethylchromen-6-Yl)Ethyl]-N,3-Dimethylbutanamide
IUPAC Name:	N-[2-(2,2-dimethylchromen-6-yl)ethyl]-N,3-dimethylbutanamide
Synonyms:
Molecular Formula:	C19H27NO2
Standard InCHIKey:	AYZROHZPTYWIEK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H27NO2/c1-14(2)12-18(21)20(5)11-9-15-6-7-17-16(13-15)8-10-19(3,4)22-17/h6-8,10,13-14H,9,11-12H2,1-5H3
Canonical SMILES:	CC(CC(=O)N(CCc1ccc2c(c1)C=CC(O2)(C)C)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
NPO1894	Amyris texana	Species	Rutaceae	Eukaryota	Leaves			PMID[20695429]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	GI	=	80	%	26851505

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 NPC283079 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	150
0.1-0.2	1006
0.2-0.3	2935
0.3-0.4	9844
0.4-0.5	3202
0.5-0.6	9015
0.6-0.7	4534
0.7-0.8	200
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8062	Intermediate Similarity	NPC321133
0.8045	Intermediate Similarity	NPC218323
0.8043	Intermediate Similarity	NPC307682
0.7956	Intermediate Similarity	NPC266425
0.7847	Intermediate Similarity	NPC189908
0.7786	Intermediate Similarity	NPC106606
0.7712	Intermediate Similarity	NPC469479
0.7698	Intermediate Similarity	NPC132308
0.7692	Intermediate Similarity	NPC183154
0.7692	Intermediate Similarity	NPC263754
0.7656	Intermediate Similarity	NPC90903
0.7613	Intermediate Similarity	NPC469505
0.7591	Intermediate Similarity	NPC17374
0.7589	Intermediate Similarity	NPC196708
0.7519	Intermediate Similarity	NPC26524
0.7519	Intermediate Similarity	NPC263835
0.75	Intermediate Similarity	NPC324081
0.7483	Intermediate Similarity	NPC225745
0.7483	Intermediate Similarity	NPC9373
0.7465	Intermediate Similarity	NPC180647
0.7432	Intermediate Similarity	NPC296085
0.7431	Intermediate Similarity	NPC231572
0.7426	Intermediate Similarity	NPC328267
0.7426	Intermediate Similarity	NPC255253
0.7422	Intermediate Similarity	NPC473809
0.7376	Intermediate Similarity	NPC470392
0.7376	Intermediate Similarity	NPC118419
0.7376	Intermediate Similarity	NPC318862
0.7372	Intermediate Similarity	NPC89630
0.7361	Intermediate Similarity	NPC28641
0.7361	Intermediate Similarity	NPC470707
0.7361	Intermediate Similarity	NPC252107
0.7361	Intermediate Similarity	NPC194359
0.7338	Intermediate Similarity	NPC37512
0.7328	Intermediate Similarity	NPC161696
0.7324	Intermediate Similarity	NPC169766
0.7324	Intermediate Similarity	NPC325568
0.7323	Intermediate Similarity	NPC186469
0.7319	Intermediate Similarity	NPC124776
0.7315	Intermediate Similarity	NPC71629
0.7313	Intermediate Similarity	NPC43275
0.7305	Intermediate Similarity	NPC475102
0.7302	Intermediate Similarity	NPC42383
0.7302	Intermediate Similarity	NPC473855
0.7292	Intermediate Similarity	NPC99078
0.7286	Intermediate Similarity	NPC157212
0.7273	Intermediate Similarity	NPC287757
0.7273	Intermediate Similarity	NPC473718
0.7273	Intermediate Similarity	NPC319320
0.7266	Intermediate Similarity	NPC97811
0.7261	Intermediate Similarity	NPC254700
0.7261	Intermediate Similarity	NPC471396
0.7259	Intermediate Similarity	NPC168050
0.7246	Intermediate Similarity	NPC474237
0.7246	Intermediate Similarity	NPC27671
0.7246	Intermediate Similarity	NPC201667
0.7246	Intermediate Similarity	NPC73413
0.7246	Intermediate Similarity	NPC291899
0.7244	Intermediate Similarity	NPC326801
0.7241	Intermediate Similarity	NPC220923
0.7241	Intermediate Similarity	NPC95366
0.7241	Intermediate Similarity	NPC248505
0.7231	Intermediate Similarity	NPC166837
0.7226	Intermediate Similarity	NPC96286
0.7226	Intermediate Similarity	NPC248429
0.7222	Intermediate Similarity	NPC136330
0.7222	Intermediate Similarity	NPC196609
0.7222	Intermediate Similarity	NPC73883
0.7222	Intermediate Similarity	NPC230698
0.7222	Intermediate Similarity	NPC277042
0.7222	Intermediate Similarity	NPC11147
0.7222	Intermediate Similarity	NPC205178
0.7222	Intermediate Similarity	NPC255817
0.7222	Intermediate Similarity	NPC251454
0.7218	Intermediate Similarity	NPC33717
0.7214	Intermediate Similarity	NPC172403
0.7209	Intermediate Similarity	NPC259554
0.72	Intermediate Similarity	NPC307425
0.7194	Intermediate Similarity	NPC471827
0.7194	Intermediate Similarity	NPC165556
0.7194	Intermediate Similarity	NPC471828
0.7194	Intermediate Similarity	NPC470858
0.7192	Intermediate Similarity	NPC150712
0.7185	Intermediate Similarity	NPC43435
0.7183	Intermediate Similarity	NPC327457
0.7183	Intermediate Similarity	NPC257390
0.7183	Intermediate Similarity	NPC86774
0.7176	Intermediate Similarity	NPC199462
0.7176	Intermediate Similarity	NPC280760
0.7174	Intermediate Similarity	NPC273772
0.7174	Intermediate Similarity	NPC472518
0.7174	Intermediate Similarity	NPC109675
0.7172	Intermediate Similarity	NPC137172
0.7172	Intermediate Similarity	NPC145446
0.7172	Intermediate Similarity	NPC167944
0.7172	Intermediate Similarity	NPC231884
0.7172	Intermediate Similarity	NPC42793
0.7165	Intermediate Similarity	NPC470393
0.7165	Intermediate Similarity	NPC473393
0.7164	Intermediate Similarity	NPC187993
0.7164	Intermediate Similarity	NPC238176
0.7163	Intermediate Similarity	NPC125887
0.7163	Intermediate Similarity	NPC472519
0.7154	Intermediate Similarity	NPC106141
0.7153	Intermediate Similarity	NPC167096
0.7143	Intermediate Similarity	NPC189724
0.7143	Intermediate Similarity	NPC298224
0.7143	Intermediate Similarity	NPC51345
0.7143	Intermediate Similarity	NPC83289
0.7143	Intermediate Similarity	NPC212850
0.7143	Intermediate Similarity	NPC237868
0.7133	Intermediate Similarity	NPC474200
0.7132	Intermediate Similarity	NPC474874
0.7123	Intermediate Similarity	NPC55615
0.7123	Intermediate Similarity	NPC177281
0.7123	Intermediate Similarity	NPC476455
0.7123	Intermediate Similarity	NPC128529
0.7123	Intermediate Similarity	NPC113236
0.7123	Intermediate Similarity	NPC160727
0.7123	Intermediate Similarity	NPC471630
0.7123	Intermediate Similarity	NPC214036
0.7123	Intermediate Similarity	NPC283019
0.7123	Intermediate Similarity	NPC193528
0.7123	Intermediate Similarity	NPC149320
0.7122	Intermediate Similarity	NPC111347
0.7122	Intermediate Similarity	NPC75432
0.7121	Intermediate Similarity	NPC35344
0.7121	Intermediate Similarity	NPC141003
0.712	Intermediate Similarity	NPC107101
0.7111	Intermediate Similarity	NPC293424
0.7103	Intermediate Similarity	NPC96406
0.7101	Intermediate Similarity	NPC13007
0.7101	Intermediate Similarity	NPC257188
0.7101	Intermediate Similarity	NPC298486
0.7101	Intermediate Similarity	NPC150026
0.7101	Intermediate Similarity	NPC302211
0.7099	Intermediate Similarity	NPC470723
0.7099	Intermediate Similarity	NPC233238
0.7092	Intermediate Similarity	NPC243688
0.7092	Intermediate Similarity	NPC142087
0.7092	Intermediate Similarity	NPC95034
0.709	Intermediate Similarity	NPC69539
0.7087	Intermediate Similarity	NPC38209
0.7087	Intermediate Similarity	NPC38079
0.7087	Intermediate Similarity	NPC108875
0.708	Intermediate Similarity	NPC212559
0.7075	Intermediate Similarity	NPC160747
0.7075	Intermediate Similarity	NPC210086
0.7071	Intermediate Similarity	NPC136112
0.7071	Intermediate Similarity	NPC320242
0.7071	Intermediate Similarity	NPC141739
0.7063	Intermediate Similarity	NPC475880
0.7059	Intermediate Similarity	NPC256369
0.7055	Intermediate Similarity	NPC86892
0.7055	Intermediate Similarity	NPC281241
0.7055	Intermediate Similarity	NPC472424
0.7055	Intermediate Similarity	NPC471625
0.7055	Intermediate Similarity	NPC471909
0.7054	Intermediate Similarity	NPC151530
0.7054	Intermediate Similarity	NPC157473
0.7051	Intermediate Similarity	NPC169742
0.705	Intermediate Similarity	NPC211218
0.705	Intermediate Similarity	NPC11799
0.705	Intermediate Similarity	NPC141252
0.7045	Intermediate Similarity	NPC474920
0.7042	Intermediate Similarity	NPC185066
0.7042	Intermediate Similarity	NPC2401
0.704	Intermediate Similarity	NPC471576
0.7034	Intermediate Similarity	NPC193673
0.7034	Intermediate Similarity	NPC328419
0.7034	Intermediate Similarity	NPC55147
0.7034	Intermediate Similarity	NPC29650
0.7034	Intermediate Similarity	NPC45783
0.7034	Intermediate Similarity	NPC229646
0.7034	Intermediate Similarity	NPC222036
0.7034	Intermediate Similarity	NPC7526
0.7034	Intermediate Similarity	NPC54503
0.7034	Intermediate Similarity	NPC470441
0.7034	Intermediate Similarity	NPC103947
0.7034	Intermediate Similarity	NPC94280
0.7034	Intermediate Similarity	NPC159150
0.7031	Intermediate Similarity	NPC139891
0.7021	Intermediate Similarity	NPC476353
0.7021	Intermediate Similarity	NPC471826
0.702	Intermediate Similarity	NPC145304
0.7014	Intermediate Similarity	NPC196979
0.7014	Intermediate Similarity	NPC470976
0.7014	Intermediate Similarity	NPC470977
0.7008	Intermediate Similarity	NPC192596
0.7007	Intermediate Similarity	NPC31314
0.7007	Intermediate Similarity	NPC46869
0.7007	Intermediate Similarity	NPC474131
0.7007	Intermediate Similarity	NPC193193
0.7007	Intermediate Similarity	NPC283331
0.7006	Intermediate Similarity	NPC133817
0.7006	Intermediate Similarity	NPC476443
0.7	Intermediate Similarity	NPC190086
0.7	Intermediate Similarity	NPC147896
0.7	Intermediate Similarity	NPC159132
0.7	Intermediate Similarity	NPC473502

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC283079 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	141
0.1-0.2	676
0.2-0.3	879
0.3-0.4	1883
0.4-0.5	2364
0.5-0.6	2005
0.6-0.7	995
0.7-0.8	213
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8189	Intermediate Similarity	NPD2486	Discontinued
0.8112	Intermediate Similarity	NPD2335	Discontinued
0.8062	Intermediate Similarity	NPD2667	Approved
0.8062	Intermediate Similarity	NPD2668	Approved
0.8	Intermediate Similarity	NPD3294	Phase 2
0.7891	Intermediate Similarity	NPD3596	Phase 2
0.7847	Intermediate Similarity	NPD6666	Approved
0.7847	Intermediate Similarity	NPD6667	Approved
0.7826	Intermediate Similarity	NPD3142	Approved
0.7826	Intermediate Similarity	NPD3140	Approved
0.7826	Intermediate Similarity	NPD6225	Clinical (unspecified phase)
0.7812	Intermediate Similarity	NPD2557	Approved
0.7801	Intermediate Similarity	NPD4477	Approved
0.7801	Intermediate Similarity	NPD4476	Approved
0.7786	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2041	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2042	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD2904	Discontinued
0.7761	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7754	Intermediate Similarity	NPD2245	Discovery
0.7737	Intermediate Similarity	NPD5746	Approved
0.771	Intermediate Similarity	NPD3445	Approved
0.771	Intermediate Similarity	NPD3049	Approved
0.771	Intermediate Similarity	NPD3444	Approved
0.771	Intermediate Similarity	NPD3443	Approved
0.7704	Intermediate Similarity	NPD4098	Discontinued
0.7681	Intermediate Similarity	NPD3374	Clinical (unspecified phase)
0.7664	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7652	Intermediate Similarity	NPD2554	Approved
0.7652	Intermediate Similarity	NPD2556	Approved
0.7643	Intermediate Similarity	NPD4622	Approved
0.7643	Intermediate Similarity	NPD4618	Approved
0.7635	Intermediate Similarity	NPD7427	Discontinued
0.7635	Intermediate Similarity	NPD7131	Phase 3
0.7634	Intermediate Similarity	NPD6580	Approved
0.7634	Intermediate Similarity	NPD6581	Approved
0.7626	Intermediate Similarity	NPD5745	Approved
0.7612	Intermediate Similarity	NPD2230	Approved
0.7612	Intermediate Similarity	NPD2232	Approved
0.7612	Intermediate Similarity	NPD2233	Approved
0.7606	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD3447	Discontinued
0.7576	Intermediate Similarity	NPD6382	Discontinued
0.7576	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD2595	Approved
0.7576	Intermediate Similarity	NPD2594	Approved
0.7554	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7552	Intermediate Similarity	NPD1725	Approved
0.7551	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7535	Intermediate Similarity	NPD5689	Approved
0.7535	Intermediate Similarity	NPD5688	Approved
0.7535	Intermediate Similarity	NPD2200	Suspended
0.7518	Intermediate Similarity	NPD7018	Phase 2
0.7516	Intermediate Similarity	NPD2388	Discontinued
0.75	Intermediate Similarity	NPD7030	Discontinued
0.7482	Intermediate Similarity	NPD5163	Phase 2
0.7465	Intermediate Similarity	NPD2653	Approved
0.7465	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7462	Intermediate Similarity	NPD595	Approved
0.7462	Intermediate Similarity	NPD593	Approved
0.7426	Intermediate Similarity	NPD1420	Approved
0.7426	Intermediate Similarity	NPD2428	Approved
0.7426	Intermediate Similarity	NPD6540	Phase 3
0.7426	Intermediate Similarity	NPD6539	Approved
0.7426	Intermediate Similarity	NPD6542	Approved
0.7426	Intermediate Similarity	NPD6583	Phase 3
0.7426	Intermediate Similarity	NPD2429	Approved
0.7426	Intermediate Similarity	NPD1421	Approved
0.7426	Intermediate Similarity	NPD6582	Phase 2
0.7426	Intermediate Similarity	NPD6543	Approved
0.7422	Intermediate Similarity	NPD2201	Approved
0.741	Intermediate Similarity	NPD2614	Approved
0.7386	Intermediate Similarity	NPD7248	Discontinued
0.7385	Intermediate Similarity	NPD2234	Approved
0.7385	Intermediate Similarity	NPD2229	Approved
0.7385	Intermediate Similarity	NPD2228	Approved
0.7383	Intermediate Similarity	NPD7020	Approved
0.7383	Intermediate Similarity	NPD7019	Approved
0.7379	Intermediate Similarity	NPD5085	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD5865	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD6585	Discontinued
0.7368	Intermediate Similarity	NPD5304	Approved
0.7368	Intermediate Similarity	NPD5303	Approved
0.7351	Intermediate Similarity	NPD4210	Discontinued
0.7347	Intermediate Similarity	NPD7466	Approved
0.7347	Intermediate Similarity	NPD5754	Discontinued
0.7344	Intermediate Similarity	NPD5240	Approved
0.7344	Intermediate Similarity	NPD5236	Approved
0.7344	Intermediate Similarity	NPD5237	Approved
0.7344	Intermediate Similarity	NPD5239	Approved
0.7344	Intermediate Similarity	NPD5235	Approved
0.7343	Intermediate Similarity	NPD2157	Approved
0.7338	Intermediate Similarity	NPD2237	Approved
0.7338	Intermediate Similarity	NPD6668	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD1975	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD3655	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD3109	Approved
0.7324	Intermediate Similarity	NPD3110	Approved
0.7323	Intermediate Similarity	NPD5374	Approved
0.7323	Intermediate Similarity	NPD5373	Approved
0.731	Intermediate Similarity	NPD6032	Approved
0.7308	Intermediate Similarity	NPD5535	Approved
0.7305	Intermediate Similarity	NPD7294	Phase 1
0.7303	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD1669	Approved
0.7292	Intermediate Similarity	NPD743	Approved
0.7285	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD2976	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD3691	Phase 2
0.7266	Intermediate Similarity	NPD7905	Discontinued
0.7266	Intermediate Similarity	NPD3690	Phase 2
0.7266	Intermediate Similarity	NPD6584	Phase 3
0.726	Intermediate Similarity	NPD2377	Approved
0.726	Intermediate Similarity	NPD2376	Approved
0.726	Intermediate Similarity	NPD2378	Approved
0.7255	Intermediate Similarity	NPD6502	Phase 2
0.7255	Intermediate Similarity	NPD6876	Approved
0.7255	Intermediate Similarity	NPD6875	Approved
0.7254	Intermediate Similarity	NPD4474	Approved
0.7254	Intermediate Similarity	NPD4475	Approved
0.7252	Intermediate Similarity	NPD594	Approved
0.7252	Intermediate Similarity	NPD592	Approved
0.7248	Intermediate Similarity	NPD5295	Discontinued
0.7246	Intermediate Similarity	NPD6541	Approved
0.7246	Intermediate Similarity	NPD6538	Approved
0.7244	Intermediate Similarity	NPD4947	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD7608	Discontinued
0.7222	Intermediate Similarity	NPD2492	Phase 1
0.7222	Intermediate Similarity	NPD3052	Approved
0.7222	Intermediate Similarity	NPD3054	Approved
0.7219	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD5890	Approved
0.7208	Intermediate Similarity	NPD5889	Approved
0.7208	Intermediate Similarity	NPD7110	Phase 1
0.7208	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD2238	Phase 2
0.72	Intermediate Similarity	NPD7212	Phase 2
0.72	Intermediate Similarity	NPD7213	Phase 3
0.7188	Intermediate Similarity	NPD8051	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD5718	Phase 2
0.7183	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD3685	Discontinued
0.7172	Intermediate Similarity	NPD7119	Phase 2
0.7172	Intermediate Similarity	NPD6895	Approved
0.7172	Intermediate Similarity	NPD6896	Approved
0.7171	Intermediate Similarity	NPD5586	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD7484	Phase 3
0.717	Intermediate Similarity	NPD7485	Phase 3
0.7163	Intermediate Similarity	NPD4207	Discontinued
0.7161	Intermediate Similarity	NPD7577	Discontinued
0.716	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD7177	Discontinued
0.7152	Intermediate Similarity	NPD3146	Approved
0.7152	Intermediate Similarity	NPD7190	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD3688	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD7447	Phase 1
0.7143	Intermediate Similarity	NPD2987	Approved
0.7143	Intermediate Similarity	NPD2990	Approved
0.7133	Intermediate Similarity	NPD3163	Approved
0.7133	Intermediate Similarity	NPD7477	Discontinued
0.7133	Intermediate Similarity	NPD3162	Approved
0.7133	Intermediate Similarity	NPD7265	Discontinued
0.7132	Intermediate Similarity	NPD2684	Approved
0.7121	Intermediate Similarity	NPD1241	Discontinued
0.7114	Intermediate Similarity	NPD5481	Discontinued
0.7114	Intermediate Similarity	NPD6331	Phase 2
0.7113	Intermediate Similarity	NPD3167	Approved
0.7113	Intermediate Similarity	NPD3164	Approved
0.7113	Intermediate Similarity	NPD3166	Approved
0.7113	Intermediate Similarity	NPD3165	Approved
0.7105	Intermediate Similarity	NPD6090	Discontinued
0.7097	Intermediate Similarity	NPD6873	Phase 2
0.7097	Intermediate Similarity	NPD6072	Discontinued
0.7095	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD2424	Discontinued
0.7095	Intermediate Similarity	NPD7037	Approved
0.7095	Intermediate Similarity	NPD2897	Discontinued
0.7092	Intermediate Similarity	NPD1712	Approved
0.7089	Intermediate Similarity	NPD8031	Discontinued
0.7089	Intermediate Similarity	NPD6533	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD7598	Phase 2
0.7083	Intermediate Similarity	NPD3597	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD3847	Discontinued
0.7075	Intermediate Similarity	NPD2239	Approved
0.7075	Intermediate Similarity	NPD2240	Approved
0.7071	Intermediate Similarity	NPD1770	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD1794	Approved
0.7071	Intermediate Similarity	NPD1819	Approved
0.7071	Intermediate Similarity	NPD1817	Approved
0.7071	Intermediate Similarity	NPD2797	Approved
0.7071	Intermediate Similarity	NPD1820	Approved
0.7071	Intermediate Similarity	NPD1818	Approved
0.707	Intermediate Similarity	NPD5967	Approved
0.7067	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5691	Approved
0.7059	Intermediate Similarity	NPD4093	Discontinued
0.7059	Intermediate Similarity	NPD1914	Approved
0.7059	Intermediate Similarity	NPD5976	Discontinued

Structure

NPC283079 OpenBabel07101718282D 22 23 0 0 0 0 0 0 0 0999 V2000 7.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.0000 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 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 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 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.5000 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 1.5000 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 6.0622 1.5000 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 5.1962 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.5000 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 14 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	15693450
ChEMBL	CHEMBL2229478
ZINC

Physicochemical Properties

Molecular Weight:	301.20
ALogP:	1.2502
MLogP:	3.22
XLogP:	4.252
# Rotatable Bonds:	11
Polar Surface Area:	29.54
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	2
# Heavy Atoms:	22

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