General Information of the Compound
| Compound ID |
CP0544970
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[6-(1-methylindol-3-yl)pyrazin-2-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H33N7O2
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| Molecular Weight |
499.619
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1cncc(n1)-c1cn(C)c2ccccc12
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| InChI |
InChI=1S/C28H33N7O2/c1-7-28(36)32-21-14-22(26(37-6)15-25(21)34(4)13-12-33(2)3)30-27-17-29-16-23(31-27)20-18-35(5)24-11-9-8-10-19(20)24/h7-11,14-18H,1,12-13H2,2-6H3,(H,30,31)(H,32,36)
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| InChIKey |
RJLKDGKEPBBBIJ-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