General Information of the Compound
| Compound ID |
CP0237075
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| Compound Name |
4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-[1,3,5]triazin-2-ylamino}-ethyl)-phenol
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| Structure |
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| Formula |
C27H36ClN7O2
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| Molecular Weight |
526.085
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| Canonical SMILES |
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C27H36ClN7O2/c1-33(14-2-3-21-4-8-23(28)9-5-21)26-30-25(29-13-12-22-6-10-24(37)11-7-22)31-27(32-26)35-17-15-34(16-18-35)19-20-36/h4-11,36-37H,2-3,12-20H2,1H3,(H,29,30,31,32)
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| InChIKey |
FFIKIRZWTPILOL-UHFFFAOYSA-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