General Information of the Compound
| Compound ID |
CP0536154
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| Compound Name |
(1R)-N-benzyl-N'-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenylethane-1,2-diamine
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| Structure |
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| Formula |
C25H23Cl2N5
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| Molecular Weight |
464.4
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C25H23Cl2N5/c1-17-23(27)25(32-24(31-17)21-13-12-20(26)15-29-21)30-16-22(19-10-6-3-7-11-19)28-14-18-8-4-2-5-9-18/h2-13,15,22,28H,14,16H2,1H3,(H,30,31,32)/t22-/m0/s1
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| InChIKey |
ZQLCVGPHDBKVCL-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