General Information of the Compound
| Compound ID |
CP0459276
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| Compound Name |
N-[3-[[2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H27N7O4
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| Molecular Weight |
489.536
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(NC(=O)Nc2cccc(NC(=O)C=C)c2)n1)N1CCOCC1
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| InChI |
InChI=1S/C25H27N7O4/c1-3-23(33)27-17-5-4-6-18(15-17)28-25(34)31-22-9-10-26-24(30-22)29-20-8-7-19(16-21(20)35-2)32-11-13-36-14-12-32/h3-10,15-16H,1,11-14H2,2H3,(H,27,33)(H3,26,28,29,30,31,34)
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| InChIKey |
MPRSBSDBHFWKDM-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