General Information of the Compound
| Compound ID |
CP0508648
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| Compound Name |
N-[(1R)-2-[[5-chloro-2-(6-methoxypyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-4-piperazin-1-ylbutanamide
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| Structure |
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| Formula |
C27H34ClN7O2
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| Molecular Weight |
524.069
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| Canonical SMILES |
COc1cccc(n1)-c1nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)n1
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| InChI |
InChI=1S/C27H34ClN7O2/c1-19-25(28)27(34-26(31-19)21-10-6-12-24(33-21)37-2)30-18-22(20-8-4-3-5-9-20)32-23(36)11-7-15-35-16-13-29-14-17-35/h3-6,8-10,12,22,29H,7,11,13-18H2,1-2H3,(H,32,36)(H,30,31,34)/t22-/m0/s1
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| InChIKey |
BYIRXFDIJRLJDH-QFIPXVFZSA-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