NPASS Natural Product

Natural Product: NPC41801

Natural Product ID:	NPC41801
Common Name:	N,N'-((1Z,3Z)-1-(4-Hydroxyphenyl)-4-(4-Methoxyphenyl)Buta-1,3-Diene-2,3-Diyl)Diformamide
IUPAC Name:	N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
Synonyms:
Molecular Formula:	C19H18N2O4
Standard InCHIKey:	TYQOIZVNOQGSQC-BJPQZVBLSA-N
Standard InCHI:	InChI=1S/C19H18N2O4/c1-25-17-8-4-15(5-9-17)11-19(21-13-23)18(20-12-22)10-14-2-6-16(24)7-3-14/h2-13,24H,1H3,(H,20,22)(H,21,23)/b18-10-,19-11-
Canonical SMILES:	OC=N/C(=Cc1ccc(cc1)OC)/C(=C/c1ccc(cc1)O)/N=CO
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO10538	Aspergillus fumigatus	Species	Aspergillaceae	Eukaryota	PMID[21667925]
NPO21746	Streptomyces peucetius	Species	Streptomycetaceae	Bacteria	PMID[21667925]
NPO21746	Streptomyces peucetius	Species	Streptomycetaceae	Bacteria	StreptomeDB*

Biological Activity

Activity Type	# Activity
IC50	12

Activity Type	# Activity
Cell Line	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT372	Cell Line	HOP-92	Homo sapiens	IC50	>	2500	nM	21667925
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	1840	nM	21667925
NPT399	Cell Line	SF-295	Homo sapiens	IC50	>	2500	nM	21667925
NPT380	Cell Line	U-251	Homo sapiens	IC50	>	2500	nM	21667925
NPT375	Cell Line	Malme-3M	Homo sapiens	IC50	>	2500	nM	21667925
NPT170	Cell Line	SK-MEL-28	Homo sapiens	IC50	=	2030	nM	21667925
NPT373	Cell Line	SK-MEL-5	Homo sapiens	IC50	>	2500	nM	21667925
NPT398	Cell Line	UACC-62	Homo sapiens	IC50	>	2500	nM	21667925
NPT146	Cell Line	SK-OV-3	Homo sapiens	IC50	=	2130	nM	21667925
NPT376	Cell Line	A498	Homo sapiens	IC50	=	1720	nM	21667925
NPT369	Cell Line	ACHN	Homo sapiens	IC50	=	1370	nM	21667925
NPT112	Cell Line	MOLT-4	Homo sapiens	IC50	=	1810	nM	21667925

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 NPC41801 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	99
0.1-0.2	934
0.2-0.3	3728
0.3-0.4	9259
0.4-0.5	3556
0.5-0.6	8096
0.6-0.7	4612
0.7-0.8	585
0.8-0.85	14
0.85-0.9	5
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9732	High Similarity	NPC323948
0.875	High Similarity	NPC83279
0.8718	High Similarity	NPC303370
0.8644	High Similarity	NPC258992
0.8596	High Similarity	NPC146530
0.8512	High Similarity	NPC252817
0.843	Intermediate Similarity	NPC256369
0.8279	Intermediate Similarity	NPC43275
0.8261	Intermediate Similarity	NPC113457
0.825	Intermediate Similarity	NPC37302
0.822	Intermediate Similarity	NPC166837
0.8154	Intermediate Similarity	NPC471953
0.8125	Intermediate Similarity	NPC186898
0.812	Intermediate Similarity	NPC201959
0.8087	Intermediate Similarity	NPC474603
0.8087	Intermediate Similarity	NPC12987
0.8065	Intermediate Similarity	NPC263835
0.8051	Intermediate Similarity	NPC474272
0.8031	Intermediate Similarity	NPC62101
0.8031	Intermediate Similarity	NPC95733
0.7984	Intermediate Similarity	NPC251571
0.7969	Intermediate Similarity	NPC29477
0.7966	Intermediate Similarity	NPC75440
0.7895	Intermediate Similarity	NPC303993
0.7863	Intermediate Similarity	NPC35961
0.7863	Intermediate Similarity	NPC195749
0.7863	Intermediate Similarity	NPC52029
0.7845	Intermediate Similarity	NPC192596
0.7836	Intermediate Similarity	NPC138365
0.7836	Intermediate Similarity	NPC237227
0.7812	Intermediate Similarity	NPC211218
0.7803	Intermediate Similarity	NPC114102
0.7787	Intermediate Similarity	NPC35344
0.7787	Intermediate Similarity	NPC141003
0.7786	Intermediate Similarity	NPC155838
0.7769	Intermediate Similarity	NPC218323
0.7761	Intermediate Similarity	NPC29650
0.7759	Intermediate Similarity	NPC51633
0.7744	Intermediate Similarity	NPC214869
0.7739	Intermediate Similarity	NPC100870
0.7734	Intermediate Similarity	NPC471314
0.7734	Intermediate Similarity	NPC471315
0.7724	Intermediate Similarity	NPC228287
0.7724	Intermediate Similarity	NPC180508
0.7721	Intermediate Similarity	NPC213471
0.7712	Intermediate Similarity	NPC154899
0.7712	Intermediate Similarity	NPC233396
0.7712	Intermediate Similarity	NPC470393
0.7692	Intermediate Similarity	NPC305205
0.7667	Intermediate Similarity	NPC24101
0.7667	Intermediate Similarity	NPC309982
0.7667	Intermediate Similarity	NPC96224
0.7661	Intermediate Similarity	NPC296526
0.7661	Intermediate Similarity	NPC464
0.7661	Intermediate Similarity	NPC185541
0.7647	Intermediate Similarity	NPC92623
0.7647	Intermediate Similarity	NPC135464
0.7638	Intermediate Similarity	NPC321133
0.7634	Intermediate Similarity	NPC301713
0.7627	Intermediate Similarity	NPC108875
0.7627	Intermediate Similarity	NPC38079
0.7623	Intermediate Similarity	NPC266932
0.7623	Intermediate Similarity	NPC90520
0.7623	Intermediate Similarity	NPC296920
0.7619	Intermediate Similarity	NPC470626
0.7612	Intermediate Similarity	NPC274732
0.7609	Intermediate Similarity	NPC189724
0.7609	Intermediate Similarity	NPC83289
0.7609	Intermediate Similarity	NPC212850
0.76	Intermediate Similarity	NPC85292
0.76	Intermediate Similarity	NPC229147
0.76	Intermediate Similarity	NPC54507
0.76	Intermediate Similarity	NPC19290
0.7591	Intermediate Similarity	NPC14600
0.7591	Intermediate Similarity	NPC160607
0.7591	Intermediate Similarity	NPC312770
0.7591	Intermediate Similarity	NPC204848
0.7591	Intermediate Similarity	NPC41473
0.7578	Intermediate Similarity	NPC207613
0.7561	Intermediate Similarity	NPC280606
0.7559	Intermediate Similarity	NPC163036
0.7554	Intermediate Similarity	NPC474128
0.7544	Intermediate Similarity	NPC471581
0.7541	Intermediate Similarity	NPC46844
0.754	Intermediate Similarity	NPC311737
0.754	Intermediate Similarity	NPC293619
0.754	Intermediate Similarity	NPC38458
0.754	Intermediate Similarity	NPC474933
0.7535	Intermediate Similarity	NPC245974
0.7519	Intermediate Similarity	NPC324571
0.7519	Intermediate Similarity	NPC262156
0.7519	Intermediate Similarity	NPC113865
0.7519	Intermediate Similarity	NPC470212
0.7519	Intermediate Similarity	NPC184651
0.7519	Intermediate Similarity	NPC473853
0.7519	Intermediate Similarity	NPC312675
0.7519	Intermediate Similarity	NPC54872
0.7519	Intermediate Similarity	NPC343720
0.75	Intermediate Similarity	NPC242885
0.75	Intermediate Similarity	NPC474565
0.75	Intermediate Similarity	NPC177844
0.75	Intermediate Similarity	NPC289330
0.75	Intermediate Similarity	NPC227217
0.75	Intermediate Similarity	NPC259134
0.75	Intermediate Similarity	NPC17388
0.75	Intermediate Similarity	NPC231705
0.75	Intermediate Similarity	NPC8002
0.75	Intermediate Similarity	NPC471308
0.75	Intermediate Similarity	NPC160120
0.75	Intermediate Similarity	NPC117780
0.75	Intermediate Similarity	NPC95614
0.75	Intermediate Similarity	NPC56214
0.75	Intermediate Similarity	NPC53596
0.75	Intermediate Similarity	NPC232316
0.75	Intermediate Similarity	NPC99886
0.75	Intermediate Similarity	NPC165133
0.7482	Intermediate Similarity	NPC314113
0.7482	Intermediate Similarity	NPC477838
0.7482	Intermediate Similarity	NPC477837
0.748	Intermediate Similarity	NPC131118
0.748	Intermediate Similarity	NPC474040
0.748	Intermediate Similarity	NPC474214
0.7478	Intermediate Similarity	NPC26244
0.7465	Intermediate Similarity	NPC9373
0.7462	Intermediate Similarity	NPC85488
0.746	Intermediate Similarity	NPC82963
0.746	Intermediate Similarity	NPC141090
0.746	Intermediate Similarity	NPC203113
0.7458	Intermediate Similarity	NPC7686
0.7458	Intermediate Similarity	NPC91461
0.7458	Intermediate Similarity	NPC300166
0.7458	Intermediate Similarity	NPC40258
0.7444	Intermediate Similarity	NPC153990
0.7442	Intermediate Similarity	NPC60962
0.7442	Intermediate Similarity	NPC269843
0.7442	Intermediate Similarity	NPC224814
0.7442	Intermediate Similarity	NPC189844
0.7442	Intermediate Similarity	NPC166759
0.7442	Intermediate Similarity	NPC109083
0.7442	Intermediate Similarity	NPC14007
0.7438	Intermediate Similarity	NPC251306
0.7438	Intermediate Similarity	NPC142297
0.7436	Intermediate Similarity	NPC51333
0.7436	Intermediate Similarity	NPC216468
0.7436	Intermediate Similarity	NPC78119
0.7436	Intermediate Similarity	NPC132078
0.7434	Intermediate Similarity	NPC71853
0.7422	Intermediate Similarity	NPC474320
0.7422	Intermediate Similarity	NPC310338
0.7422	Intermediate Similarity	NPC281298
0.7419	Intermediate Similarity	NPC153795
0.7419	Intermediate Similarity	NPC290353
0.7419	Intermediate Similarity	NPC42911
0.7417	Intermediate Similarity	NPC8302
0.7414	Intermediate Similarity	NPC473388
0.741	Intermediate Similarity	NPC299583
0.741	Intermediate Similarity	NPC296898
0.7407	Intermediate Similarity	NPC308885
0.7407	Intermediate Similarity	NPC255550
0.7405	Intermediate Similarity	NPC474160
0.7405	Intermediate Similarity	NPC471693
0.7405	Intermediate Similarity	NPC280704
0.7402	Intermediate Similarity	NPC470759
0.7402	Intermediate Similarity	NPC219070
0.7402	Intermediate Similarity	NPC15860
0.7402	Intermediate Similarity	NPC127894
0.7402	Intermediate Similarity	NPC280001
0.7398	Intermediate Similarity	NPC94045
0.7395	Intermediate Similarity	NPC178902
0.7394	Intermediate Similarity	NPC247298
0.7391	Intermediate Similarity	NPC151715
0.7385	Intermediate Similarity	NPC38996
0.7385	Intermediate Similarity	NPC476633
0.7385	Intermediate Similarity	NPC251259
0.7385	Intermediate Similarity	NPC160380
0.7381	Intermediate Similarity	NPC317254
0.7381	Intermediate Similarity	NPC53906
0.7377	Intermediate Similarity	NPC153690
0.7376	Intermediate Similarity	NPC222039
0.7376	Intermediate Similarity	NPC100478
0.7373	Intermediate Similarity	NPC213730
0.7368	Intermediate Similarity	NPC321956
0.7364	Intermediate Similarity	NPC103916
0.7353	Intermediate Similarity	NPC93882
0.7353	Intermediate Similarity	NPC130595
0.7348	Intermediate Similarity	NPC293701
0.7348	Intermediate Similarity	NPC114901
0.7348	Intermediate Similarity	NPC48990
0.7339	Intermediate Similarity	NPC139617
0.7339	Intermediate Similarity	NPC78918
0.7338	Intermediate Similarity	NPC193528
0.7333	Intermediate Similarity	NPC2518
0.7333	Intermediate Similarity	NPC470706
0.7328	Intermediate Similarity	NPC71579
0.7328	Intermediate Similarity	NPC262253
0.7328	Intermediate Similarity	NPC473411
0.7323	Intermediate Similarity	NPC114064
0.7317	Intermediate Similarity	NPC265211
0.7317	Intermediate Similarity	NPC306045
0.7317	Intermediate Similarity	NPC7097

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC41801 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	109
0.1-0.2	573
0.2-0.3	1022
0.3-0.4	1662
0.4-0.5	2771
0.5-0.6	1996
0.6-0.7	905
0.7-0.8	122
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8268	Intermediate Similarity	NPD4993	Discontinued
0.7812	Intermediate Similarity	NPD6582	Phase 2
0.7812	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.7812	Intermediate Similarity	NPD6583	Phase 3
0.7698	Intermediate Similarity	NPD5481	Discontinued
0.7674	Intermediate Similarity	NPD3685	Discontinued
0.7638	Intermediate Similarity	NPD2667	Approved
0.7638	Intermediate Similarity	NPD2668	Approved
0.7634	Intermediate Similarity	NPD6584	Phase 3
0.7615	Intermediate Similarity	NPD2922	Phase 1
0.7578	Intermediate Similarity	NPD3847	Discontinued
0.7561	Intermediate Similarity	NPD821	Approved
0.7544	Intermediate Similarity	NPD2933	Approved
0.7544	Intermediate Similarity	NPD2934	Approved
0.7538	Intermediate Similarity	NPD1669	Approved
0.75	Intermediate Similarity	NPD3556	Approved
0.75	Intermediate Similarity	NPD3560	Approved
0.75	Intermediate Similarity	NPD968	Approved
0.75	Intermediate Similarity	NPD3557	Approved
0.75	Intermediate Similarity	NPD3559	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3558	Approved
0.7478	Intermediate Similarity	NPD2860	Approved
0.7478	Intermediate Similarity	NPD2859	Approved
0.746	Intermediate Similarity	NPD3596	Phase 2
0.7445	Intermediate Similarity	NPD3052	Approved
0.7445	Intermediate Similarity	NPD3054	Approved
0.7407	Intermediate Similarity	NPD3145	Approved
0.7407	Intermediate Similarity	NPD3144	Approved
0.7381	Intermediate Similarity	NPD709	Approved
0.7377	Intermediate Similarity	NPD2684	Approved
0.7353	Intermediate Similarity	NPD2674	Phase 3
0.7353	Intermediate Similarity	NPD7477	Discontinued
0.7344	Intermediate Similarity	NPD6581	Approved
0.7344	Intermediate Similarity	NPD6580	Approved
0.7333	Intermediate Similarity	NPD5163	Phase 2
0.7328	Intermediate Similarity	NPD2233	Approved
0.7328	Intermediate Similarity	NPD2230	Approved
0.7328	Intermediate Similarity	NPD2232	Approved
0.7317	Intermediate Similarity	NPD5451	Approved
0.7313	Intermediate Similarity	NPD2407	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD3421	Phase 3
0.7299	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD3020	Approved
0.7287	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.728	Intermediate Similarity	NPD7843	Approved
0.7279	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD2557	Approved
0.7241	Intermediate Similarity	NPD3985	Discontinued
0.7231	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD5283	Phase 1
0.72	Intermediate Similarity	NPD228	Approved
0.7197	Intermediate Similarity	NPD2231	Phase 2
0.7197	Intermediate Similarity	NPD2235	Phase 2
0.7172	Intermediate Similarity	NPD2752	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD2595	Approved
0.7154	Intermediate Similarity	NPD2594	Approved
0.7143	Intermediate Similarity	NPD5535	Approved
0.7143	Intermediate Similarity	NPD4129	Approved
0.7133	Intermediate Similarity	NPD44	Approved
0.7133	Intermediate Similarity	NPD2460	Phase 3
0.7133	Intermediate Similarity	NPD2458	Approved
0.7133	Intermediate Similarity	NPD2459	Approved
0.7133	Intermediate Similarity	NPD6364	Approved
0.7133	Intermediate Similarity	NPD3060	Approved
0.7123	Intermediate Similarity	NPD4123	Phase 3
0.7111	Intermediate Similarity	NPD7451	Discontinued
0.7109	Intermediate Similarity	NPD7157	Approved
0.7103	Intermediate Similarity	NPD3281	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD1423	Approved
0.7101	Intermediate Similarity	NPD5745	Approved
0.7101	Intermediate Similarity	NPD3058	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD839	Approved
0.7101	Intermediate Similarity	NPD840	Approved
0.7099	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD4108	Discontinued
0.709	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD2229	Approved
0.7087	Intermediate Similarity	NPD2234	Approved
0.7087	Intermediate Similarity	NPD2228	Approved
0.708	Intermediate Similarity	NPD3180	Approved
0.708	Intermediate Similarity	NPD3027	Phase 3
0.708	Intermediate Similarity	NPD6179	Discontinued
0.708	Intermediate Similarity	NPD3179	Approved
0.7077	Intermediate Similarity	NPD1548	Phase 1
0.7073	Intermediate Similarity	NPD3134	Approved
0.7068	Intermediate Similarity	NPD2561	Approved
0.7068	Intermediate Similarity	NPD2562	Approved
0.7063	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD111	Approved
0.705	Intermediate Similarity	NPD2238	Phase 2
0.7037	Intermediate Similarity	NPD1819	Approved
0.7037	Intermediate Similarity	NPD3567	Approved
0.7037	Intermediate Similarity	NPD1232	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD1820	Approved
0.7037	Intermediate Similarity	NPD1817	Approved
0.7037	Intermediate Similarity	NPD1818	Approved
0.7037	Intermediate Similarity	NPD3568	Approved
0.7029	Intermediate Similarity	NPD5111	Phase 2
0.7029	Intermediate Similarity	NPD5109	Approved
0.7029	Intermediate Similarity	NPD1039	Discontinued
0.7029	Intermediate Similarity	NPD5718	Phase 2
0.7029	Intermediate Similarity	NPD5110	Phase 2
0.7027	Intermediate Similarity	NPD7131	Phase 3
0.7023	Intermediate Similarity	NPD3444	Approved
0.7023	Intermediate Similarity	NPD3049	Approved
0.7023	Intermediate Similarity	NPD3445	Approved
0.7023	Intermediate Similarity	NPD6382	Discontinued
0.7023	Intermediate Similarity	NPD3443	Approved
0.7016	Intermediate Similarity	NPD1358	Approved
0.7016	Intermediate Similarity	NPD290	Approved
0.7015	Intermediate Similarity	NPD6539	Approved
0.7015	Intermediate Similarity	NPD4659	Approved
0.7015	Intermediate Similarity	NPD6540	Phase 3
0.7015	Intermediate Similarity	NPD2428	Approved
0.7015	Intermediate Similarity	NPD6543	Approved
0.7015	Intermediate Similarity	NPD2429	Approved
0.7015	Intermediate Similarity	NPD6542	Approved
0.7007	Intermediate Similarity	NPD3536	Discontinued
0.7007	Intermediate Similarity	NPD4908	Phase 1
0.7	Intermediate Similarity	NPD5536	Phase 2
0.7	Intermediate Similarity	NPD5617	Suspended
0.6985	Remote Similarity	NPD3691	Phase 2
0.6985	Remote Similarity	NPD3690	Phase 2
0.698	Remote Similarity	NPD4003	Phase 3
0.6978	Remote Similarity	NPD7265	Discontinued
0.6977	Remote Similarity	NPD6671	Approved
0.6977	Remote Similarity	NPD6387	Discontinued
0.697	Remote Similarity	NPD6516	Phase 2
0.697	Remote Similarity	NPD2556	Approved
0.697	Remote Similarity	NPD2554	Approved
0.697	Remote Similarity	NPD5846	Approved
0.6963	Remote Similarity	NPD6538	Approved
0.6963	Remote Similarity	NPD6541	Approved
0.6957	Remote Similarity	NPD1024	Discontinued
0.6957	Remote Similarity	NPD3167	Approved
0.6957	Remote Similarity	NPD9295	Approved
0.6957	Remote Similarity	NPD5746	Approved
0.6957	Remote Similarity	NPD3164	Approved
0.6957	Remote Similarity	NPD3166	Approved
0.6957	Remote Similarity	NPD3165	Approved
0.695	Remote Similarity	NPD1772	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD5304	Approved
0.6947	Remote Similarity	NPD1182	Approved
0.6947	Remote Similarity	NPD5303	Approved
0.6947	Remote Similarity	NPD2486	Discontinued
0.6944	Remote Similarity	NPD4598	Approved
0.6944	Remote Similarity	NPD4597	Approved
0.694	Remote Similarity	NPD2337	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD6087	Phase 1
0.6939	Remote Similarity	NPD4357	Discontinued
0.6933	Remote Similarity	NPD5811	Approved
0.6929	Remote Similarity	NPD3597	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD3175	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD5241	Discontinued
0.6917	Remote Similarity	NPD3294	Phase 2
0.6912	Remote Similarity	NPD4104	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD3827	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD4103	Phase 2
0.6911	Remote Similarity	NPD9610	Approved
0.6911	Remote Similarity	NPD9608	Approved
0.6906	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD1048	Approved
0.6905	Remote Similarity	NPD3021	Approved
0.6905	Remote Similarity	NPD3022	Approved
0.6899	Remote Similarity	NPD595	Approved
0.6899	Remote Similarity	NPD593	Approved
0.6897	Remote Similarity	NPD4237	Approved
0.6897	Remote Similarity	NPD4236	Phase 3
0.6897	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD5289	Phase 2
0.6894	Remote Similarity	NPD1357	Approved
0.6887	Remote Similarity	NPD4678	Approved
0.6887	Remote Similarity	NPD4675	Approved
0.6884	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD2614	Approved
0.6879	Remote Similarity	NPD4606	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD5756	Phase 2
0.6871	Remote Similarity	NPD6667	Approved
0.6871	Remote Similarity	NPD6666	Approved
0.6866	Remote Similarity	NPD1610	Phase 2
0.6866	Remote Similarity	NPD1535	Discovery
0.6863	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD7018	Phase 2
0.6861	Remote Similarity	NPD2987	Approved
0.6861	Remote Similarity	NPD2990	Approved
0.6861	Remote Similarity	NPD7905	Discontinued
0.6853	Remote Similarity	NPD3846	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD6331	Phase 2
0.6842	Remote Similarity	NPD3237	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD3778	Approved
0.6842	Remote Similarity	NPD7438	Suspended
0.6842	Remote Similarity	NPD3796	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD3236	Phase 3
0.6835	Remote Similarity	NPD4083	Discontinued
0.6835	Remote Similarity	NPD3136	Phase 2
0.6831	Remote Similarity	NPD4097	Suspended
0.6831	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD2157	Approved

Structure

CID41801 OpenBabel06191715372D 25 26 0 0 0 0 0 0 0 0999 V2000 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -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 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -3.0000 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 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5000 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 -4.3301 -4.5000 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 -5.1962 -3.0000 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 -6.9282 -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 -2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 N 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 -2.5981 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -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 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 14 2 0 0 0 0 3 7 2 0 0 0 0 3 14 1 0 0 0 0 4 8 1 0 0 0 0 4 15 2 0 0 0 0 5 9 2 0 0 0 0 5 15 1 0 0 0 0 6 16 2 0 0 0 0 7 16 1 0 0 0 0 8 17 2 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 15 1 0 0 0 0 11 19 2 0 0 0 0 12 20 2 3 0 0 0 12 22 1 0 0 0 0 13 21 2 3 0 0 0 13 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	53387667
ChEMBL	CHEMBL1813658
ZINC

Physicochemical Properties

Molecular Weight:	338.13
ALogP:	-0.7711
MLogP:	2.89
XLogP:	3.847
# Rotatable Bonds:	10
Polar Surface Area:	94.64
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	25

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