General Information of the Compound
| Compound ID |
CP0486075
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| Compound Name |
(3,4-dichlorophenyl)-[4-[[[6-(1H-pyrazol-5-yl)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H23Cl2N5O
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| Molecular Weight |
444.366
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2cc[nH]n2)CC1
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| InChI |
InChI=1S/C22H23Cl2N5O/c23-18-5-4-16(12-19(18)24)22(30)29-10-7-15(8-11-29)13-25-14-17-2-1-3-20(27-17)21-6-9-26-28-21/h1-6,9,12,15,25H,7-8,10-11,13-14H2,(H,26,28)
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| InChIKey |
FOYMTZMTURRROB-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