General Information of the Compound
| Compound ID |
CP0464710
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| Compound Name |
2-(4-(3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl)piperazin-1-yl)benzamide
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| Structure |
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| Formula |
C21H20ClN5O2
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| Molecular Weight |
409.877
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| Canonical SMILES |
NC(=O)c1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H20ClN5O2/c22-15-7-5-14(6-8-15)17-13-18(25-24-17)21(29)27-11-9-26(10-12-27)19-4-2-1-3-16(19)20(23)28/h1-8,13H,9-12H2,(H2,23,28)(H,24,25)
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| InChIKey |
YYTFXJCOIXEZTE-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