General Information of the Compound
| Compound ID |
CP0968812
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[4-(hydroxymethyl)tetrahydropyran-4-yl]methyl]-N-methyl-cyclobutanecarboxamide
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| Formula |
C27H29F3N2O3
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| Molecular Weight |
486.534
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| Canonical SMILES |
CN(CC1(CO)CCOCC1)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C27H29F3N2O3/c1-32(14-27(15-33)6-8-35-9-7-27)26(34)18-10-17(11-18)23-21-12-20(29)13-22(30)25(21)31-24(23)16-2-4-19(28)5-3-16/h2-5,12-13,17-18,31,33H,6-11,14-15H2,1H3/t17-,18-
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| InChIKey |
ODRNQZBVDXEQFI-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