General Information of the Compound
| Compound ID |
CP0528334
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| Compound Name |
5-Chloro-N-[1-(3-fluoro-4-methoxy-benzyl)-piperidin-4-yl]-2-isobutylamino-nicotinamide
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| Structure |
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| Formula |
C23H30ClFN4O2
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| Molecular Weight |
448.97
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)NC(=O)c2cc(Cl)cnc2NCC(C)C)cc1F
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| InChI |
InChI=1S/C23H30ClFN4O2/c1-15(2)12-26-22-19(11-17(24)13-27-22)23(30)28-18-6-8-29(9-7-18)14-16-4-5-21(31-3)20(25)10-16/h4-5,10-11,13,15,18H,6-9,12,14H2,1-3H3,(H,26,27)(H,28,30)
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| InChIKey |
NSEXQYXQGOAKST-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