General Information of the Compound
| Compound ID |
CP0527473
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| Compound Name |
(1R)-N'-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(4-pyrrol-1-ylbutyl)ethane-1,2-diamine
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| Structure |
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| Formula |
C26H28Cl2N6
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| Molecular Weight |
495.458
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NCCCCn2cccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C26H28Cl2N6/c1-19-24(28)26(33-25(32-19)22-12-11-21(27)17-30-22)31-18-23(20-9-3-2-4-10-20)29-13-5-6-14-34-15-7-8-16-34/h2-4,7-12,15-17,23,29H,5-6,13-14,18H2,1H3,(H,31,32,33)/t23-/m0/s1
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| InChIKey |
KXVYPIFTGVUHIX-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