General Information of the Compound
| Compound ID |
CP0579318
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| Compound Name |
5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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 |
C26H23F3N6S
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| Molecular Weight |
508.573
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| Canonical SMILES |
CN1CCC(=CC1)c1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H23F3N6S/c1-35-10-7-17(8-11-35)22-15-31-25(33-23-6-5-18(14-30-23)19-9-12-36-16-19)34-24(22)32-21-4-2-3-20(13-21)26(27,28)29/h2-7,9,12-16H,8,10-11H2,1H3,(H2,30,31,32,33,34)
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| InChIKey |
CUUKUHWIYYAGQU-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