General Information of the Compound
| Compound ID |
CP0472536
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| Compound Name |
N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H29N7O3
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| Molecular Weight |
511.586
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C28H29N7O3/c1-4-25(36)30-20-6-5-7-22(16-20)35-26(37)11-8-19-18-29-28(32-27(19)35)31-23-10-9-21(17-24(23)38-3)34-14-12-33(2)13-15-34/h4-11,16-18H,1,12-15H2,2-3H3,(H,30,36)(H,29,31,32)
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| InChIKey |
HOQHLSXELYFJKC-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000052 | A-431 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 5229 nM
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