General Information of the Compound
| Compound ID |
CP0645196
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| Compound Name |
3-(2-(1-(2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carboxamido)cyclobutyl)-1-methyl-1H-benzo[d]imidazol-6-yl)acrylic acid
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| Synonyms |
Deleobuvir
(E)-3-(2-(1
(E)-3-(2-(1-(2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carboxamido)cyclobutyl)-1-methyl-1H-benzo[d]imidazol-6-yl)acrylic
(E)-3-(2-(1-(2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carboxamido)cyclobutyl)-1-methyl-1H-benzo[d]imidazol-6-yl)acrylic acid
1221574-24-8
2-Propenoic acid, 3-(2-(1-(((2-(5-bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-1H-indol-6-yl)carbonyl)amino)cyclobutyl)-1-methyl-1H-benzimidazol-6-yl)-, (2E)-
58BU988K90
863884-77-9
BI 207127
BI-207127
BMAIGAHXAJEULY-UKTHLTGXSA-N
CHEMBL2403318
DTXSID40235516
Deleobuvir
Deleobuvir [USAN:INN]
SB16520
SCHEMBL900174
SCHEMBL900176
UNII-58BU988K90
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| Structure |
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| Formula |
C34H33BrN6O3
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| Molecular Weight |
653.581
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| Canonical SMILES |
Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(/C=C/C(=O)O)cc21
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| InChI |
InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43)/b13-9+
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| InChIKey |
BMAIGAHXAJEULY-UKTHLTGXSA-N
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| CAS |
863884-77-9
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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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Clinical Information about the Compound