General Information of the Compound
| Compound ID |
CP0309250
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| Compound Name |
N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
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| Structure |
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| Formula |
C26H27ClN4O5S
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| Molecular Weight |
543.045
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| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3cccc(Cl)c3)c12
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| InChI |
InChI=1S/C26H27ClN4O5S/c1-26(2,33)25(32)28-15-17-7-4-8-18(13-17)16-31-21-11-6-12-22(36-3)23(21)24(29-31)30-37(34,35)20-10-5-9-19(27)14-20/h4-14,33H,15-16H2,1-3H3,(H,28,32)(H,29,30)
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| InChIKey |
YCZOPYLLVPGEAR-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