General Information of the Compound
| Compound ID |
CP0545282
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| Compound Name |
5-[4-[[(3S,5S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C27H33FN4O2
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| Molecular Weight |
464.585
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| Canonical SMILES |
CNC(=O)c1ccc(cn1)-c1ccc(CN2C[C@@H](F)C[C@]22CCN(C3CCCCC3)C2=O)cc1
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| InChI |
InChI=1S/C27H33FN4O2/c1-29-25(33)24-12-11-21(16-30-24)20-9-7-19(8-10-20)17-31-18-22(28)15-27(31)13-14-32(26(27)34)23-5-3-2-4-6-23/h7-12,16,22-23H,2-6,13-15,17-18H2,1H3,(H,29,33)/t22-,27-/m0/s1
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| InChIKey |
PQUROINPGBJKQH-CUNXSJBXSA-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