General Information of the Compound
| Compound ID |
CP0564775
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| Compound Name |
5-chloro-2-N-[5-(4-propylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C23H25ClF3N7
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| Molecular Weight |
491.949
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| Canonical SMILES |
CCCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
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| InChI |
InChI=1S/C23H25ClF3N7/c1-2-8-33-9-11-34(12-10-33)18-6-7-20(28-14-18)31-22-29-15-19(24)21(32-22)30-17-5-3-4-16(13-17)23(25,26)27/h3-7,13-15H,2,8-12H2,1H3,(H2,28,29,30,31,32)
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| InChIKey |
IGQCCPXSHBTJOW-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