General Information of the Compound
| Compound ID |
CP0553188
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| Compound Name |
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-[2-(methanesulfonamido)phenyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C21H23ClN6O3S
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| Molecular Weight |
474.974
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| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H23ClN6O3S/c1-32(30,31)26-17-4-2-3-5-19(17)27-10-12-28(13-11-27)21(29)23-20-14-18(24-25-20)15-6-8-16(22)9-7-15/h2-9,14,26H,10-13H2,1H3,(H2,23,24,25,29)
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| InChIKey |
ZPSKNORUWIIOKQ-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