General Information of the Compound
| Compound ID |
CP0124322
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| Compound Name |
N-[5-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H29N7O2
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| Molecular Weight |
483.576
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H29N7O2/c1-4-26(35)30-22-15-23(25(36-3)16-24(22)34-13-11-33(2)12-14-34)32-27-28-10-9-21(31-27)19-17-29-20-8-6-5-7-18(19)20/h4-10,15-17,29H,1,11-14H2,2-3H3,(H,30,35)(H,28,31,32)
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| InChIKey |
ARSLABFLEJRETK-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
Protein ID: PT00922, Epidermal growth factor receptor