General Information of the Compound
| Compound ID |
CP0964135
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-ethyl-2,5-dihydroxy-pentyl)cyclobutanecarboxamide
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| Formula |
C26H29F3N2O3
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| Molecular Weight |
474.523
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| Canonical SMILES |
CCC(O)(CCCO)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C26H29F3N2O3/c1-2-26(34,8-3-9-32)14-30-25(33)17-10-16(11-17)22-20-12-19(28)13-21(29)24(20)31-23(22)15-4-6-18(27)7-5-15/h4-7,12-13,16-17,31-32,34H,2-3,8-11,14H2,1H3,(H,30,33)/t16-,17-,26?
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| InChIKey |
KVFNAFMFUONUIG-YISRNHDPSA-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