General Information of the Compound
| Compound ID |
CP0562554
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| Compound Name |
N-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]-3-methoxybenzamide
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| Structure |
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| Formula |
C27H33N7O4
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| Molecular Weight |
519.606
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)n1
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| InChI |
InChI=1S/C27H33N7O4/c1-7-25(35)29-20-16-21(23(38-6)17-22(20)34(4)14-13-33(2)3)30-27-28-12-11-24(32-27)31-26(36)18-9-8-10-19(15-18)37-5/h7-12,15-17H,1,13-14H2,2-6H3,(H,29,35)(H2,28,30,31,32,36)
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| InChIKey |
UDSNYKWEDWNLBC-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