General Information of the Compound
| Compound ID |
CP0967432
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
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| Formula |
C25H20F6N4O2
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| Molecular Weight |
522.449
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| Canonical SMILES |
O=C(NCc1cn(CC(F)(F)F)cn1)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C25H20F6N4O2/c26-15-3-1-13(2-4-15)22-21(19-7-16(27)8-20(28)23(19)34-22)14-5-18(6-14)37-24(36)32-9-17-10-35(12-33-17)11-25(29,30)31/h1-4,7-8,10,12,14,18,34H,5-6,9,11H2,(H,32,36)/t14-,18-
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| InChIKey |
MMABZDWNVNURJS-PPUGGXLSSA-N
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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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound