General Information of the Compound
| Compound ID |
CP0401213
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| Compound Name |
N-benzylsulfonyl-3-[2-[(2,4-dichlorophenyl)methyl]-5-propan-2-yloxypyrazol-3-yl]propanamide
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| Structure |
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| Formula |
C23H25Cl2N3O4S
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| Molecular Weight |
510.443
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| Canonical SMILES |
CC(C)Oc1cc(CCC(=O)NS(=O)(=O)Cc2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C23H25Cl2N3O4S/c1-16(2)32-23-13-20(28(26-23)14-18-8-9-19(24)12-21(18)25)10-11-22(29)27-33(30,31)15-17-6-4-3-5-7-17/h3-9,12-13,16H,10-11,14-15H2,1-2H3,(H,27,29)
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| InChIKey |
YRZRNPDWVWNCIN-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