General Information of the Compound
| Compound ID |
CP0571825
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| Compound Name |
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-N-(5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C32H30F3N7S
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| Molecular Weight |
601.702
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cnc(Nc3ccc(cn3)-c3ccsc3)nc2Nc2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C32H30F3N7S/c1-41-12-14-42(15-13-41)20-22-5-7-23(8-6-22)28-19-37-31(39-29-10-9-24(18-36-29)25-11-16-43-21-25)40-30(28)38-27-4-2-3-26(17-27)32(33,34)35/h2-11,16-19,21H,12-15,20H2,1H3,(H2,36,37,38,39,40)
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| InChIKey |
RJKKBSVUDSLXMC-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