General Information of the Compound
| Compound ID |
CP0546696
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| Compound Name |
5-(4-aminophenyl)-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 |
C26H19F3N6S
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| Molecular Weight |
504.541
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| Canonical SMILES |
Nc1ccc(cc1)-c1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H19F3N6S/c27-26(28,29)19-2-1-3-21(12-19)33-24-22(16-4-7-20(30)8-5-16)14-32-25(35-24)34-23-9-6-17(13-31-23)18-10-11-36-15-18/h1-15H,30H2,(H2,31,32,33,34,35)
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| InChIKey |
KMGCPKDAPLNDRR-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