General Information of the Compound
| Compound ID |
CP0217745
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| Compound Name |
(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-[(3,5-dimethyl-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 |
C19H15ClFN5O
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| Molecular Weight |
383.814
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| Canonical SMILES |
Cc1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
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| InChI |
InChI=1S/C19H15ClFN5O/c1-9-5-10(2)24-15(9)7-12-16-17(22-8-23-18(16)26-19(12)27)25-11-3-4-14(21)13(20)6-11/h3-8,24H,1-2H3,(H2,22,23,25,26,27)/b12-7-
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| InChIKey |
YFDRVUYGJJBGOU-GHXNOFRVSA-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