General Information of the Compound
| Compound ID |
CP0462967
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| Compound Name |
2-(4-(3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl)piperazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C21H18ClN5O
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| Molecular Weight |
391.862
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCN(CC1)c1ccccc1C#N
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| InChI |
InChI=1S/C21H18ClN5O/c22-17-7-5-15(6-8-17)18-13-19(25-24-18)21(28)27-11-9-26(10-12-27)20-4-2-1-3-16(20)14-23/h1-8,13H,9-12H2,(H,24,25)
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| InChIKey |
GPPCZGLJYWWKQI-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