General Information of the Compound
| Compound ID |
CP0439757
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| Compound Name |
N-[[1-(6-aminopyridin-2-yl)piperidin-4-yl]methyl]-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C22H23BrClN7O2
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| Molecular Weight |
532.83
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| Canonical SMILES |
Nc1cccc(n1)N1CCC(CNC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)CC1
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| InChI |
InChI=1S/C22H23BrClN7O2/c23-18-19(29-30-20(18)28-21(32)14-4-1-2-5-15(14)24)22(33)26-12-13-8-10-31(11-9-13)17-7-3-6-16(25)27-17/h1-7,13H,8-12H2,(H2,25,27)(H,26,33)(H2,28,29,30,32)
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| InChIKey |
WFFSPTMHWZWRHQ-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