General Information of the Compound
| Compound ID |
CP0481264
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| Compound Name |
N-[(2-chlorophenyl)methyl]-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-[[4-(2-methylpropoxy)phenyl]methyl]amino]acetamide
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| Structure |
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| Formula |
C32H41ClN4O4S
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| Molecular Weight |
613.224
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| Canonical SMILES |
CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1
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| InChI |
InChI=1S/C32H41ClN4O4S/c1-25(2)24-41-29-12-8-27(9-13-29)22-37(23-32(38)34-20-28-6-4-5-7-31(28)33)42(39,40)30-14-10-26(11-15-30)21-36-18-16-35(3)17-19-36/h4-15,25H,16-24H2,1-3H3,(H,34,38)
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| InChIKey |
IECZSHWARQTGFD-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