General Information of the Compound
| Compound ID |
CP0969789
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| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-[(1S)-2,2,2-trifluoro-1-(hydroxymethyl)ethyl]cyclobutanecarboxamide
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| Formula |
C23H20F6N2O2
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| Molecular Weight |
470.413
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| Canonical SMILES |
O=C(N[C@@H](CO)C(F)(F)F)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C23H20F6N2O2/c24-14-3-1-12(2-4-14)20-16(17-8-15(25)9-18(26)21(17)31-20)7-11-5-13(6-11)22(33)30-19(10-32)23(27,28)29/h1-4,8-9,11,13,19,31-32H,5-7,10H2,(H,30,33)/t11?,13?,19-/m0/s1
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| InChIKey |
RQSWDLSSKLNTJL-MHTRZOGVSA-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