General Information of the Compound
| Compound ID |
CP0459275
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| Compound Name |
N-[3-[[2-[4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H31FN8O3
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| Molecular Weight |
534.596
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(NC(=O)Nc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCF)CC1
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| InChI |
InChI=1S/C27H31FN8O3/c1-3-25(37)30-19-5-4-6-20(17-19)31-27(38)34-24-9-11-29-26(33-24)32-22-8-7-21(18-23(22)39-2)36-15-13-35(12-10-28)14-16-36/h3-9,11,17-18H,1,10,12-16H2,2H3,(H,30,37)(H3,29,31,32,33,34,38)
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| InChIKey |
UKQCMWMFTKFWKH-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