General Information of the Compound
| Compound ID |
CP0077035
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| Compound Name |
N-[[3-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C26H26Cl2N4O5S
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| Molecular Weight |
577.49
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| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c12
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| InChI |
InChI=1S/C26H26Cl2N4O5S/c1-26(2,34)25(33)29-14-16-6-4-7-17(12-16)15-32-21-8-5-9-22(37-3)23(21)24(30-32)31-38(35,36)18-10-11-19(27)20(28)13-18/h4-13,34H,14-15H2,1-3H3,(H,29,33)(H,30,31)
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| InChIKey |
OMTFCKWAQKHVHB-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