General Information of the Compound
| Compound ID |
CP0559320
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| Compound Name |
1-[5-methoxy-2-(prop-2-enoylamino)-4-[[4-[[4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H28F3N7O4
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| Molecular Weight |
583.571
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| Canonical SMILES |
COc1cc(N2CCC(CC2)C(N)=O)c(NC(=O)C=C)cc1Nc1nccc(NC(=O)c2ccc(cc2)C(F)(F)F)n1
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| InChI |
InChI=1S/C28H28F3N7O4/c1-3-24(39)34-19-14-20(22(42-2)15-21(19)38-12-9-16(10-13-38)25(32)40)35-27-33-11-8-23(37-27)36-26(41)17-4-6-18(7-5-17)28(29,30)31/h3-8,11,14-16H,1,9-10,12-13H2,2H3,(H2,32,40)(H,34,39)(H2,33,35,36,37,41)
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| InChIKey |
QANGAFYXUNGLGT-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