General Information of the Compound
| Compound ID |
CP0478801
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| Compound Name |
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(pyridin-2-ylmethyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H20ClN5O
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| Molecular Weight |
381.867
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCN(Cc2ccccn2)CC1
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| InChI |
InChI=1S/C20H20ClN5O/c21-16-6-4-15(5-7-16)18-13-19(24-23-18)20(27)26-11-9-25(10-12-26)14-17-3-1-2-8-22-17/h1-8,13H,9-12,14H2,(H,23,24)
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| InChIKey |
VRDMARSJNVEFRA-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