General Information of the Compound
| Compound ID |
CP0526176
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| Compound Name |
2-[(2-{[4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)-2-(trifluoromethyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
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| Structure |
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| Formula |
C28H28F3N7O
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| Molecular Weight |
535.574
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| Canonical SMILES |
CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H28F3N7O/c1-2-13-38-14-5-6-18(16-38)17-9-10-23(21(15-17)28(29,30)31)35-27-36-25-20(11-12-33-25)26(37-27)34-22-8-4-3-7-19(22)24(32)39/h3-4,6-12,15H,2,5,13-14,16H2,1H3,(H2,32,39)(H3,33,34,35,36,37)
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| InChIKey |
QCLCLBSPZZIVTH-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