General Information of the Compound
| Compound ID |
CP0968795
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylsulfonyl-cyclobutanecarboxamide
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| Formula |
C20H17F3N2O3S
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| Molecular Weight |
422.428
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| Canonical SMILES |
CS(=O)(=O)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C20H17F3N2O3S/c1-29(27,28)25-20(26)12-6-11(7-12)17-15-8-14(22)9-16(23)19(15)24-18(17)10-2-4-13(21)5-3-10/h2-5,8-9,11-12,24H,6-7H2,1H3,(H,25,26)/t11-,12-
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| InChIKey |
JIOHFMLATVOVFT-HAQNSBGRSA-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