General Information of the Compound
| Compound ID |
CP0166079
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| Compound Name |
6-hydroxy-N-[[4-(methanesulfonamidomethyl)phenyl]methyl]-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
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| Structure |
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| Formula |
C26H28N4O4S
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| Molecular Weight |
492.601
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| Canonical SMILES |
CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
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| InChI |
InChI=1S/C26H28N4O4S/c1-17-5-4-6-20(11-17)12-23-21-13-22(25(31)14-24(21)29-28-23)26(32)30(2)16-19-9-7-18(8-10-19)15-27-35(3,33)34/h4-11,13-14,27,31H,12,15-16H2,1-3H3,(H,28,29)
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| InChIKey |
MYLPKVZOKNWTDT-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