General Information of the Compound
| Compound ID |
CP0970580
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| Compound Name |
trans-N-cyclobutyl-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(2-hydroxyethoxy)ethyl]cyclobutanecarboxamide
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| Formula |
C27H29F3N2O3
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| Molecular Weight |
486.534
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N(CCOCCO)C1CCC1
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| InChI |
InChI=1S/C27H29F3N2O3/c28-19-6-4-16(5-7-19)25-24(22-14-20(29)15-23(30)26(22)31-25)17-12-18(13-17)27(34)32(21-2-1-3-21)8-10-35-11-9-33/h4-7,14-15,17-18,21,31,33H,1-3,8-13H2/t17-,18-
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| InChIKey |
RYBBSXWJLIVCHW-IYARVYRRSA-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