General Information of the Compound
| Compound ID |
CP0515316
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| Compound Name |
(1R)-N'-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
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| Structure |
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| Formula |
C26H25Cl2N5
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| Molecular Weight |
478.427
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C26H25Cl2N5/c1-18-24(28)26(33-25(32-18)22-13-12-21(27)16-30-22)31-17-23(20-10-6-3-7-11-20)29-15-14-19-8-4-2-5-9-19/h2-13,16,23,29H,14-15,17H2,1H3,(H,31,32,33)/t23-/m0/s1
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| InChIKey |
XHEBRDAHHAOHLN-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