General Information of the Compound
| Compound ID |
CP0041537
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| Compound Name |
5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
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| Synonyms |
(R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide
5-[6-[(4-Methyl-1-piperazinyl)methyl]-1h-benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide
8QO27TK6Q4
929095-18-1
BCP01720
C27H28F3N5O2S
CHEBI:91333
CHEMBL1908394
CTK8B7590
DTXSID60239197
GSK 461364
GSK 461364A
GSK-461364
GSK-461364A
GSK461364
GSK461364A
GTPL5684
MolPort-016-633-304
SCHEMBL310080
UNII-8QO27TK6Q4
ZHJGWYRLJUCMRT-QGZVFWFLSA-N
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| Structure |
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| Formula |
C27H28F3N5O2S
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| Molecular Weight |
543.615
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| Canonical SMILES |
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
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| InChIKey |
ZHJGWYRLJUCMRT-QGZVFWFLSA-N
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| CAS |
929095-18-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound