General Information of the Compound
| Compound ID |
CP0432354
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| Compound Name |
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonamide
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| Structure |
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| Formula |
C26H34ClN7O3S
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| Molecular Weight |
560.124
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NS(=O)(=O)CCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1
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| InChI |
InChI=1S/C26H34ClN7O3S/c1-20-24(27)26(31-25(30-20)22-9-5-6-10-28-22)29-19-23(21-7-3-2-4-8-21)32-38(36,37)18-16-34-13-11-33(12-14-34)15-17-35/h2-10,23,32,35H,11-19H2,1H3,(H,29,30,31)/t23-/m0/s1
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| InChIKey |
CTTDEOXNVFGLFZ-QHCPKHFHSA-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