General Information of the Compound
| Compound ID |
CP0426710
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| Compound Name |
N-[[(2S)-4,4-difluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C27H24F2N4O2S
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| Molecular Weight |
506.578
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| Canonical SMILES |
Cc1nc(c(s1)C(=O)N1CCC(F)(F)C[C@H]1CNC(=O)c1cccc2cccnc12)-c1ccccc1
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| InChI |
InChI=1S/C27H24F2N4O2S/c1-17-32-23(19-7-3-2-4-8-19)24(36-17)26(35)33-14-12-27(28,29)15-20(33)16-31-25(34)21-11-5-9-18-10-6-13-30-22(18)21/h2-11,13,20H,12,14-16H2,1H3,(H,31,34)/t20-/m0/s1
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| InChIKey |
PBDFCTXWCIUFCB-FQEVSTJZSA-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