General Information of the Compound
| Compound ID |
CP0537806
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| Compound Name |
3-[(3-chlorophenyl)methyl]-6-hydroxy-N-[[4-(methanesulfonamidomethyl)phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide
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| Structure |
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| Formula |
C25H25ClN4O4S
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| Molecular Weight |
513.019
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| Canonical SMILES |
CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
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| InChI |
InChI=1S/C25H25ClN4O4S/c1-30(15-17-8-6-16(7-9-17)14-27-35(2,33)34)25(32)21-12-20-22(28-29-23(20)13-24(21)31)11-18-4-3-5-19(26)10-18/h3-10,12-13,27,31H,11,14-15H2,1-2H3,(H,28,29)
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| InChIKey |
KBWLLBQRVQWYAU-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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Table of Molecular Bioactivities Related to the Compound