General Information of the Compound
| Compound ID |
CP0963984
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[1-(ethoxymethyl)cyclopropyl]methyl]cyclobutanecarboxamide
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| Formula |
C26H27F3N2O2
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| Molecular Weight |
456.508
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| Canonical SMILES |
CCOCC1(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1
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| InChI |
InChI=1S/C26H27F3N2O2/c1-2-33-14-26(7-8-26)13-30-25(32)17-9-16(10-17)22-20-11-19(28)12-21(29)24(20)31-23(22)15-3-5-18(27)6-4-15/h3-6,11-12,16-17,31H,2,7-10,13-14H2,1H3,(H,30,32)/t16-,17-
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| InChIKey |
CWFDECAFHFZEMO-QAQDUYKDSA-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