General Information of the Compound
| Compound ID |
CP0484757
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| Compound Name |
4-[5-butoxy-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-N-pentylsulfonylbutanamide
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| Structure |
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| Formula |
C23H33Cl2N3O4S
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| Molecular Weight |
518.507
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)CCCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C23H33Cl2N3O4S/c1-3-5-7-14-33(30,31)27-22(29)10-8-9-20-16-23(32-13-6-4-2)26-28(20)17-18-11-12-19(24)15-21(18)25/h11-12,15-16H,3-10,13-14,17H2,1-2H3,(H,27,29)
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| InChIKey |
QPVACQFVYUNONW-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