General Information of the Compound
| Compound ID |
CP0255898
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| Compound Name |
(5Z)-4-(2,3-dihydro-1H-inden-5-ylamino)-5-{[3-methyl-5-(morpholin-4-ylcarbonyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C26H26N6O3
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| Molecular Weight |
470.533
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| Canonical SMILES |
Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4CCCc4c3)c12)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C26H26N6O3/c1-15-11-21(26(34)32-7-9-35-10-8-32)30-20(15)13-19-22-23(27-14-28-24(22)31-25(19)33)29-18-6-5-16-3-2-4-17(16)12-18/h5-6,11-14,30H,2-4,7-10H2,1H3,(H2,27,28,29,31,33)/b19-13-
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| InChIKey |
OZSZUGKQFYJEMK-UYRXBGFRSA-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