General Information of the Compound
| Compound ID |
CP0041166
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| Compound Name |
5-{[(5Z)-4-[(1-benzyl-1H-indol-5-yl)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 |
C34H34N8O3
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| Molecular Weight |
602.699
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| Canonical SMILES |
Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c12)C(=O)NCCN1CCOCC1
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| InChI |
InChI=1S/C34H34N8O3/c1-22-17-28(34(44)35-10-12-41-13-15-45-16-14-41)39-27(22)19-26-30-31(36-21-37-32(30)40-33(26)43)38-25-7-8-29-24(18-25)9-11-42(29)20-23-5-3-2-4-6-23/h2-9,11,17-19,21,39H,10,12-16,20H2,1H3,(H,35,44)(H2,36,37,38,40,43)/b26-19-
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| InChIKey |
JHZHWAOFJSCIEJ-XHPQRKPJSA-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