General Information of the Compound
| Compound ID |
CP0578946
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-ylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H23ClFN5O
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| Molecular Weight |
427.911
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
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| InChI |
InChI=1S/C22H23ClFN5O/c23-19-13-17(5-6-20(19)24)22(30)28-11-7-16(8-12-28)14-25-15-18-3-1-4-21(27-18)29-10-2-9-26-29/h1-6,9-10,13,16,25H,7-8,11-12,14-15H2
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| InChIKey |
RGEBYWBBEQTXJC-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