General Information of the Compound
| Compound ID |
CP0260985
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| Compound Name |
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrazol-5-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C21H22ClN5O2
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| Molecular Weight |
411.893
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| Canonical SMILES |
Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3ccn[nH]3)c2)cc1
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| InChI |
InChI=1S/C21H22ClN5O2/c22-17-4-6-18(7-5-17)29-19-3-1-2-16(14-19)15-26-10-12-27(13-11-26)21(28)24-20-8-9-23-25-20/h1-9,14H,10-13,15H2,(H2,23,24,25,28)
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| InChIKey |
RXJYFAHMWJWBOJ-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