General Information of the Compound
| Compound ID |
CP0392985
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| Compound Name |
(3,4-dichlorophenyl)-[4-hydroxy-4-[[(6-pyrazol-1-ylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H23Cl2N5O2
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| Molecular Weight |
460.365
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| Canonical SMILES |
OC1(CNCc2cccc(n2)-n2cccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H23Cl2N5O2/c23-18-6-5-16(13-19(18)24)21(30)28-11-7-22(31,8-12-28)15-25-14-17-3-1-4-20(27-17)29-10-2-9-26-29/h1-6,9-10,13,25,31H,7-8,11-12,14-15H2
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| InChIKey |
KRLHLVWNOUDUET-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