General Information of the Compound
| Compound ID |
CP0460381
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| Compound Name |
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-hydroxyphenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H19ClN4O2
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| Molecular Weight |
382.851
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| Canonical SMILES |
Oc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H19ClN4O2/c21-15-7-5-14(6-8-15)16-13-17(23-22-16)20(27)25-11-9-24(10-12-25)18-3-1-2-4-19(18)26/h1-8,13,26H,9-12H2,(H,22,23)
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| InChIKey |
VZJITQSDNACZHM-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