General Information of the Compound
| Compound ID |
CP0515692
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| Compound Name |
5-Chloro-N-[1-(4-chloro-benzyl)-piperidin-4-yl]-2-cyclobutylamino-nicotinamide
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| Structure |
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| Formula |
C22H26Cl2N4O
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| Molecular Weight |
433.383
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)NC(=O)c2cc(Cl)cnc2NC2CCC2)cc1
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| InChI |
InChI=1S/C22H26Cl2N4O/c23-16-6-4-15(5-7-16)14-28-10-8-19(9-11-28)27-22(29)20-12-17(24)13-25-21(20)26-18-2-1-3-18/h4-7,12-13,18-19H,1-3,8-11,14H2,(H,25,26)(H,27,29)
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| InChIKey |
HYDCKBALLZODFZ-UHFFFAOYSA-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