General Information of the Compound
| Compound ID |
CP0951075
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S)-2,2,2-trifluoro-1-(hydroxymethyl)ethyl]cyclobutanecarboxamide
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| Formula |
C22H18F6N2O2
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| Molecular Weight |
456.386
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| Canonical SMILES |
O=C(N[C@@H](CO)C(F)(F)F)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C22H18F6N2O2/c23-13-3-1-10(2-4-13)19-18(15-7-14(24)8-16(25)20(15)30-19)11-5-12(6-11)21(32)29-17(9-31)22(26,27)28/h1-4,7-8,11-12,17,30-31H,5-6,9H2,(H,29,32)/t11-,12-,17-/m0/s1
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| InChIKey |
ANXQTPQUAUDWME-PRXAMGSTSA-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