NPASS Natural Product

Natural Product: NPC90577

Natural Product ID:	NPC90577
Common Name:	9-Methoxystrobilurin B
IUPAC Name:	methyl (2E,3E,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
Synonyms:
Molecular Formula:	C18H21ClO5
Standard InCHIKey:	YMXFXCLZQAQAGG-WIMKLWOJSA-N
Standard InCHI:	InChI=1S/C18H21ClO5/c1-12(14(11-21-2)18(20)24-5)16(22-3)9-7-13-6-8-15(19)17(10-13)23-4/h6-11H,1-5H3/b9-7+,14-11+,16-12+
Canonical SMILES:	CO/C=C(C(=C(/C=C/c1ccc(c(c1)OC)Cl)OC)C)/C(=O)OC
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
NPO23728	Favolaschia tonkinensis	Species	Favolaschiaceae	Eukaryota				PMID[20329738]

Biological Activity

Activity Type	# Activity
IC50	6

Activity Type	# Activity
Cell Line	4
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	7.91	ug/ml	15679329
NPT20	Organism	Candida albicans	Candida albicans	IC50	=	0.22	ug/ml	15711537
NPT91	Cell Line	KB	Homo sapiens	IC50	=	5.45	ug/ml	11052800
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4.86	ug/ml	7683725
NPT639	Cell Line	NCI-H187	Homo sapiens	IC50	=	0.4	ug/ml	DrugMatrix in vitro pharmacology data
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	=	0.3	ug/ml	DrugMatrix in vitro pharmacology data

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 NPC90577 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	195
0.1-0.2	1334
0.2-0.3	3711
0.3-0.4	9450
0.4-0.5	3841
0.5-0.6	9159
0.6-0.7	3056
0.7-0.8	143
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.7826	Intermediate Similarity	NPC86087
0.7815	Intermediate Similarity	NPC288760
0.775	Intermediate Similarity	NPC326447
0.7686	Intermediate Similarity	NPC151530
0.7686	Intermediate Similarity	NPC157473
0.766	Intermediate Similarity	NPC182475
0.7656	Intermediate Similarity	NPC98748
0.7647	Intermediate Similarity	NPC179686
0.7647	Intermediate Similarity	NPC273984
0.7603	Intermediate Similarity	NPC176971
0.7578	Intermediate Similarity	NPC277460
0.7578	Intermediate Similarity	NPC159916
0.7538	Intermediate Similarity	NPC322569
0.7538	Intermediate Similarity	NPC471877
0.7521	Intermediate Similarity	NPC128730
0.75	Intermediate Similarity	NPC320287
0.75	Intermediate Similarity	NPC21238
0.75	Intermediate Similarity	NPC161768
0.744	Intermediate Similarity	NPC54626
0.7438	Intermediate Similarity	NPC109637
0.7438	Intermediate Similarity	NPC283546
0.7438	Intermediate Similarity	NPC2518
0.7424	Intermediate Similarity	NPC27198
0.7422	Intermediate Similarity	NPC268317
0.7402	Intermediate Similarity	NPC294941
0.7391	Intermediate Similarity	NPC139335
0.7391	Intermediate Similarity	NPC66643
0.7385	Intermediate Similarity	NPC69670
0.7385	Intermediate Similarity	NPC234956
0.7385	Intermediate Similarity	NPC37858
0.7377	Intermediate Similarity	NPC473855
0.7377	Intermediate Similarity	NPC227255
0.7377	Intermediate Similarity	NPC238115
0.7372	Intermediate Similarity	NPC30390
0.7364	Intermediate Similarity	NPC240664
0.7364	Intermediate Similarity	NPC185738
0.736	Intermediate Similarity	NPC473809
0.7348	Intermediate Similarity	NPC114845
0.7333	Intermediate Similarity	NPC13755
0.7333	Intermediate Similarity	NPC8058
0.7317	Intermediate Similarity	NPC1065
0.7311	Intermediate Similarity	NPC175298
0.7311	Intermediate Similarity	NPC470161
0.7308	Intermediate Similarity	NPC293424
0.7299	Intermediate Similarity	NPC246991
0.7293	Intermediate Similarity	NPC288238
0.7273	Intermediate Similarity	NPC84325
0.7273	Intermediate Similarity	NPC94343
0.7273	Intermediate Similarity	NPC204466
0.7266	Intermediate Similarity	NPC87563
0.7236	Intermediate Similarity	NPC473393
0.7231	Intermediate Similarity	NPC199209
0.7231	Intermediate Similarity	NPC212643
0.7222	Intermediate Similarity	NPC179309
0.7218	Intermediate Similarity	NPC70752
0.7209	Intermediate Similarity	NPC322358
0.7206	Intermediate Similarity	NPC329272
0.7206	Intermediate Similarity	NPC127604
0.72	Intermediate Similarity	NPC291837
0.7197	Intermediate Similarity	NPC202474
0.7197	Intermediate Similarity	NPC193193
0.7197	Intermediate Similarity	NPC473290
0.7197	Intermediate Similarity	NPC471504
0.7197	Intermediate Similarity	NPC222175
0.7197	Intermediate Similarity	NPC67791
0.7197	Intermediate Similarity	NPC31314
0.7194	Intermediate Similarity	NPC193334
0.719	Intermediate Similarity	NPC107101
0.7185	Intermediate Similarity	NPC60517
0.7185	Intermediate Similarity	NPC246704
0.7185	Intermediate Similarity	NPC146886
0.7185	Intermediate Similarity	NPC20443
0.7176	Intermediate Similarity	NPC124916
0.7176	Intermediate Similarity	NPC272471
0.7176	Intermediate Similarity	NPC137537
0.7176	Intermediate Similarity	NPC70744
0.7176	Intermediate Similarity	NPC107588
0.7176	Intermediate Similarity	NPC205502
0.7176	Intermediate Similarity	NPC204617
0.7176	Intermediate Similarity	NPC164706
0.7165	Intermediate Similarity	NPC245552
0.7164	Intermediate Similarity	NPC151237
0.7164	Intermediate Similarity	NPC256167
0.7143	Intermediate Similarity	NPC234639
0.7143	Intermediate Similarity	NPC76453
0.7132	Intermediate Similarity	NPC170749
0.7132	Intermediate Similarity	NPC280767
0.7132	Intermediate Similarity	NPC289459
0.7131	Intermediate Similarity	NPC307425
0.7109	Intermediate Similarity	NPC280760
0.7109	Intermediate Similarity	NPC199462
0.7099	Intermediate Similarity	NPC471503
0.7099	Intermediate Similarity	NPC217423
0.7099	Intermediate Similarity	NPC45104
0.7099	Intermediate Similarity	NPC471498
0.7099	Intermediate Similarity	NPC280001
0.7092	Intermediate Similarity	NPC2363
0.7087	Intermediate Similarity	NPC231251
0.7087	Intermediate Similarity	NPC25067
0.7087	Intermediate Similarity	NPC88868
0.708	Intermediate Similarity	NPC213552
0.708	Intermediate Similarity	NPC120225
0.7077	Intermediate Similarity	NPC188907
0.7077	Intermediate Similarity	NPC220540
0.7073	Intermediate Similarity	NPC298224
0.7063	Intermediate Similarity	NPC245115
0.7059	Intermediate Similarity	NPC470162
0.7059	Intermediate Similarity	NPC471581
0.7059	Intermediate Similarity	NPC33402
0.7059	Intermediate Similarity	NPC470163
0.7054	Intermediate Similarity	NPC303522
0.7054	Intermediate Similarity	NPC109241
0.705	Intermediate Similarity	NPC473247
0.7039	Intermediate Similarity	NPC282294
0.7037	Intermediate Similarity	NPC286573
0.7037	Intermediate Similarity	NPC477151
0.7037	Intermediate Similarity	NPC132518
0.7031	Intermediate Similarity	NPC57879
0.7029	Intermediate Similarity	NPC223807
0.7029	Intermediate Similarity	NPC95034
0.7029	Intermediate Similarity	NPC142087
0.7023	Intermediate Similarity	NPC316062
0.7023	Intermediate Similarity	NPC33717
0.7023	Intermediate Similarity	NPC281277
0.7021	Intermediate Similarity	NPC317601
0.7021	Intermediate Similarity	NPC329427
0.7016	Intermediate Similarity	NPC38209
0.7015	Intermediate Similarity	NPC158949
0.7015	Intermediate Similarity	NPC267064
0.7009	Intermediate Similarity	NPC99886
0.7009	Intermediate Similarity	NPC177844
0.7009	Intermediate Similarity	NPC8002
0.7009	Intermediate Similarity	NPC259134
0.7008	Intermediate Similarity	NPC259554
0.7008	Intermediate Similarity	NPC149545
0.7007	Intermediate Similarity	NPC27352
0.7	Intermediate Similarity	NPC261453
0.7	Intermediate Similarity	NPC41851
0.7	Intermediate Similarity	NPC33749
0.7	Intermediate Similarity	NPC81808
0.7	Intermediate Similarity	NPC114144
0.7	Intermediate Similarity	NPC328593
0.7	Intermediate Similarity	NPC197513
0.6992	Remote Similarity	NPC12714
0.6992	Remote Similarity	NPC264976
0.6992	Remote Similarity	NPC310905
0.6992	Remote Similarity	NPC57501
0.6985	Remote Similarity	NPC229084
0.6985	Remote Similarity	NPC18984
0.6985	Remote Similarity	NPC160900
0.6985	Remote Similarity	NPC106659
0.6985	Remote Similarity	NPC279379
0.6984	Remote Similarity	NPC35543
0.6984	Remote Similarity	NPC258171
0.6978	Remote Similarity	NPC110313
0.6972	Remote Similarity	NPC475468
0.6967	Remote Similarity	NPC471576
0.6963	Remote Similarity	NPC476165
0.6963	Remote Similarity	NPC193484
0.6963	Remote Similarity	NPC310373
0.6963	Remote Similarity	NPC194416
0.6963	Remote Similarity	NPC177291
0.696	Remote Similarity	NPC139891
0.6957	Remote Similarity	NPC154275
0.6953	Remote Similarity	NPC183648
0.695	Remote Similarity	NPC11173
0.6949	Remote Similarity	NPC71853
0.6947	Remote Similarity	NPC51345
0.6947	Remote Similarity	NPC474967
0.6947	Remote Similarity	NPC233669
0.6947	Remote Similarity	NPC296526
0.6942	Remote Similarity	NPC325499
0.694	Remote Similarity	NPC230951
0.694	Remote Similarity	NPC2058
0.6935	Remote Similarity	NPC12870
0.6935	Remote Similarity	NPC24327
0.6935	Remote Similarity	NPC192596
0.6935	Remote Similarity	NPC304638
0.6934	Remote Similarity	NPC56332
0.6934	Remote Similarity	NPC145134
0.6934	Remote Similarity	NPC221798
0.6929	Remote Similarity	NPC187958
0.6929	Remote Similarity	NPC83062
0.6923	Remote Similarity	NPC95381
0.6923	Remote Similarity	NPC53953
0.6923	Remote Similarity	NPC190212
0.6923	Remote Similarity	NPC471110
0.6923	Remote Similarity	NPC311339
0.6917	Remote Similarity	NPC171023
0.6917	Remote Similarity	NPC203124
0.6917	Remote Similarity	NPC309434
0.6912	Remote Similarity	NPC325301
0.6911	Remote Similarity	NPC253746
0.6906	Remote Similarity	NPC64948
0.6906	Remote Similarity	NPC71525
0.6906	Remote Similarity	NPC194841
0.6901	Remote Similarity	NPC470160
0.6899	Remote Similarity	NPC228609
0.6899	Remote Similarity	NPC23332
0.6899	Remote Similarity	NPC226250

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC90577 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	195
0.1-0.2	1083
0.2-0.3	1361
0.3-0.4	2824
0.4-0.5	2105
0.5-0.6	1285
0.6-0.7	282
0.7-0.8	26
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7939	Intermediate Similarity	NPD454	Approved
0.775	Intermediate Similarity	NPD3134	Approved
0.7686	Intermediate Similarity	NPD1358	Approved
0.75	Intermediate Similarity	NPD4359	Approved
0.7483	Intermediate Similarity	NPD3887	Approved
0.7415	Intermediate Similarity	NPD2370	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD4534	Discontinued
0.7385	Intermediate Similarity	NPD5585	Approved
0.7381	Intermediate Similarity	NPD769	Approved
0.7376	Intermediate Similarity	NPD1501	Clinical (unspecified phase)
0.7364	Intermediate Similarity	NPD5536	Phase 2
0.7338	Intermediate Similarity	NPD1184	Approved
0.7324	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD2353	Approved
0.7299	Intermediate Similarity	NPD2598	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5958	Discontinued
0.7273	Intermediate Similarity	NPD3496	Discontinued
0.7252	Intermediate Similarity	NPD5691	Approved
0.7222	Intermediate Similarity	NPD1416	Approved
0.7197	Intermediate Similarity	NPD1778	Approved
0.7181	Intermediate Similarity	NPD957	Approved
0.7152	Intermediate Similarity	NPD3274	Phase 2
0.7143	Intermediate Similarity	NPD5451	Approved
0.7123	Intermediate Similarity	NPD2354	Approved
0.7068	Intermediate Similarity	NPD4626	Approved
0.7039	Intermediate Similarity	NPD958	Approved
0.6985	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.698	Remote Similarity	NPD1578	Phase 2
0.6977	Remote Similarity	NPD5535	Approved
0.6974	Remote Similarity	NPD4972	Discontinued
0.696	Remote Similarity	NPD9697	Approved
0.6923	Remote Similarity	NPD1241	Discontinued
0.6889	Remote Similarity	NPD3847	Discontinued
0.6875	Remote Similarity	NPD4538	Approved
0.6875	Remote Similarity	NPD4536	Approved
0.6875	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD6832	Phase 2
0.6853	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD1281	Approved
0.6821	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD17	Approved
0.6794	Remote Similarity	NPD5283	Phase 1
0.6783	Remote Similarity	NPD2979	Phase 3
0.6767	Remote Similarity	NPD694	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD987	Approved
0.6759	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD9501	Approved
0.6741	Remote Similarity	NPD1651	Approved
0.6714	Remote Similarity	NPD1019	Discontinued
0.6713	Remote Similarity	NPD4870	Approved
0.6712	Remote Similarity	NPD5960	Phase 3
0.6712	Remote Similarity	NPD5588	Approved
0.6691	Remote Similarity	NPD1283	Approved
0.669	Remote Similarity	NPD6653	Approved
0.669	Remote Similarity	NPD7095	Approved
0.6688	Remote Similarity	NPD2379	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9717	Approved
0.6667	Remote Similarity	NPD1608	Approved
0.6667	Remote Similarity	NPD1894	Discontinued
0.6667	Remote Similarity	NPD2935	Discontinued
0.6667	Remote Similarity	NPD2684	Approved
0.6623	Remote Similarity	NPD5058	Phase 3
0.66	Remote Similarity	NPD4535	Phase 3
0.6594	Remote Similarity	NPD1611	Approved
0.6591	Remote Similarity	NPD7843	Approved
0.6589	Remote Similarity	NPD9552	Approved
0.6575	Remote Similarity	NPD2989	Phase 2
0.6575	Remote Similarity	NPD2986	Phase 2
0.6569	Remote Similarity	NPD5846	Approved
0.6569	Remote Similarity	NPD6516	Phase 2
0.6569	Remote Similarity	NPD1010	Approved
0.6567	Remote Similarity	NPD7157	Approved
0.6566	Remote Similarity	NPD7959	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD2531	Phase 2
0.6554	Remote Similarity	NPD6032	Approved
0.6554	Remote Similarity	NPD2438	Suspended
0.6552	Remote Similarity	NPD4060	Phase 1
0.6549	Remote Similarity	NPD9494	Approved
0.6549	Remote Similarity	NPD2237	Approved
0.6547	Remote Similarity	NPD3972	Approved
0.6544	Remote Similarity	NPD9545	Approved
0.6535	Remote Similarity	NPD9500	Approved
0.6528	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD411	Approved
0.6528	Remote Similarity	NPD6798	Discontinued
0.6527	Remote Similarity	NPD8014	Clinical (unspecified phase)
0.6525	Remote Similarity	NPD2797	Approved
0.6525	Remote Similarity	NPD3266	Approved
0.6525	Remote Similarity	NPD3267	Approved
0.6525	Remote Similarity	NPD6362	Approved
0.6519	Remote Similarity	NPD9493	Approved
0.6515	Remote Similarity	NPD228	Approved
0.6507	Remote Similarity	NPD447	Suspended
0.6507	Remote Similarity	NPD6355	Discontinued
0.6497	Remote Similarity	NPD4424	Discontinued
0.6496	Remote Similarity	NPD1357	Approved
0.6483	Remote Similarity	NPD6233	Phase 2
0.6483	Remote Similarity	NPD4062	Phase 3
0.6483	Remote Similarity	NPD8032	Phase 2
0.6479	Remote Similarity	NPD5647	Approved
0.6479	Remote Similarity	NPD2798	Approved
0.6475	Remote Similarity	NPD3705	Approved
0.6471	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD7041	Phase 2
0.6467	Remote Similarity	NPD2808	Discontinued
0.6467	Remote Similarity	NPD2170	Clinical (unspecified phase)
0.6462	Remote Similarity	NPD290	Approved
0.6454	Remote Similarity	NPD1876	Approved
0.6454	Remote Similarity	NPD3225	Approved
0.6449	Remote Similarity	NPD2423	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD191	Approved
0.6444	Remote Similarity	NPD6671	Approved
0.6438	Remote Similarity	NPD4140	Approved
0.6438	Remote Similarity	NPD4307	Phase 2
0.642	Remote Similarity	NPD3365	Discontinued
0.6414	Remote Similarity	NPD3268	Approved
0.6412	Remote Similarity	NPD2182	Approved
0.6408	Remote Similarity	NPD1203	Approved
0.6405	Remote Similarity	NPD6815	Approved
0.6395	Remote Similarity	NPD1933	Approved
0.6391	Remote Similarity	NPD1139	Approved
0.6391	Remote Similarity	NPD1137	Approved
0.6389	Remote Similarity	NPD2614	Approved
0.6385	Remote Similarity	NPD968	Approved
0.6383	Remote Similarity	NPD6543	Approved
0.6383	Remote Similarity	NPD6542	Approved
0.6383	Remote Similarity	NPD6540	Phase 3
0.6383	Remote Similarity	NPD6539	Approved
0.6382	Remote Similarity	NPD4110	Phase 3
0.6382	Remote Similarity	NPD4628	Phase 3
0.6382	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6376	Remote Similarity	NPD2799	Discontinued
0.6357	Remote Similarity	NPD1535	Discovery
0.6357	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD4018	Clinical (unspecified phase)
0.6351	Remote Similarity	NPD2653	Approved
0.6345	Remote Similarity	NPD5746	Approved
0.6345	Remote Similarity	NPD5163	Phase 2
0.6343	Remote Similarity	NPD1138	Approved
0.6343	Remote Similarity	NPD821	Approved
0.6338	Remote Similarity	NPD6541	Approved
0.6338	Remote Similarity	NPD6538	Approved
0.6325	Remote Similarity	NPD3366	Approved
0.6324	Remote Similarity	NPD709	Approved
0.6324	Remote Similarity	NPD9685	Approved
0.6316	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6312	Remote Similarity	NPD1481	Phase 2
0.6312	Remote Similarity	NPD2981	Phase 2
0.6312	Remote Similarity	NPD3465	Clinical (unspecified phase)
0.6309	Remote Similarity	NPD7097	Phase 1
0.6301	Remote Similarity	NPD2313	Discontinued
0.6299	Remote Similarity	NPD3097	Clinical (unspecified phase)
0.6299	Remote Similarity	NPD1238	Approved
0.6296	Remote Similarity	NPD2991	Approved
0.6296	Remote Similarity	NPD2988	Approved
0.6291	Remote Similarity	NPD2346	Discontinued
0.6291	Remote Similarity	NPD3656	Approved
0.6291	Remote Similarity	NPD5763	Approved
0.6291	Remote Similarity	NPD5762	Approved
0.6286	Remote Similarity	NPD1889	Phase 1
0.6284	Remote Similarity	NPD4622	Approved
0.6284	Remote Similarity	NPD4618	Approved
0.6282	Remote Similarity	NPD6273	Approved
0.6275	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6275	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6268	Remote Similarity	NPD2983	Phase 2
0.6268	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6268	Remote Similarity	NPD2982	Phase 2
0.6268	Remote Similarity	NPD5327	Phase 3
0.6268	Remote Similarity	NPD1421	Approved
0.6268	Remote Similarity	NPD1420	Approved
0.6267	Remote Similarity	NPD4308	Phase 3
0.6267	Remote Similarity	NPD7033	Discontinued
0.6267	Remote Similarity	NPD3260	Discontinued
0.6266	Remote Similarity	NPD4017	Approved
0.6259	Remote Similarity	NPD5745	Approved
0.6258	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6241	Remote Similarity	NPD2067	Discontinued
0.6241	Remote Similarity	NPD422	Phase 1
0.6233	Remote Similarity	NPD1024	Discontinued
0.6231	Remote Similarity	NPD164	Approved
0.6225	Remote Similarity	NPD1551	Phase 2
0.6225	Remote Similarity	NPD4477	Approved
0.6225	Remote Similarity	NPD4476	Approved
0.6225	Remote Similarity	NPD2239	Approved
0.6225	Remote Similarity	NPD2240	Approved
0.6224	Remote Similarity	NPD196	Phase 1
0.6224	Remote Similarity	NPD2922	Phase 1
0.6218	Remote Similarity	NPD3146	Approved
0.6218	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6216	Remote Similarity	NPD2203	Discontinued
0.6216	Remote Similarity	NPD3140	Approved
0.6216	Remote Similarity	NPD3142	Approved
0.6214	Remote Similarity	NPD4589	Approved
0.6214	Remote Similarity	NPD2107	Clinical (unspecified phase)
0.6209	Remote Similarity	NPD4487	Clinical (unspecified phase)
0.6207	Remote Similarity	NPD1285	Clinical (unspecified phase)

Structure

NPC90577 OpenBabel07101719512D 24 24 0 0 0 0 0 0 0 0999 V2000 2.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.0000 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 1.5000 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 0.8660 2.5000 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 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 4.3301 4.5000 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 0.8660 1.5000 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 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 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 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	46210467
ChEMBL	CHEMBL1094264
ZINC

Physicochemical Properties

Molecular Weight:	352.11
ALogP:	1.2865
MLogP:	2.78
XLogP:	3.721
# Rotatable Bonds:	14
Polar Surface Area:	53.99
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	1
# Heavy Atoms:	24

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