General Information of the Compound
| Compound ID |
CP0201108
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| Compound Name |
5-{[(5Z)-4-[(3-ethynylphenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-4-methyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C27H27N7O3
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| Molecular Weight |
497.559
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| Canonical SMILES |
Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3cccc(c3)C#C)c12)C(=O)NCCN1CCOCC1
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| InChI |
InChI=1S/C27H27N7O3/c1-3-18-5-4-6-19(14-18)31-24-23-20(26(35)33-25(23)30-16-29-24)15-21-17(2)13-22(32-21)27(36)28-7-8-34-9-11-37-12-10-34/h1,4-6,13-16,32H,7-12H2,2H3,(H,28,36)(H2,29,30,31,33,35)/b20-15-
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| InChIKey |
ZJXFDKWJAGZFLT-HKWRFOASSA-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
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2