General Information of the Compound
| Compound ID |
CP0217755
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| Compound Name |
(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-({3-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-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 |
C24H23ClFN7O2
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| Molecular Weight |
495.946
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
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| InChI |
InChI=1S/C24H23ClFN7O2/c1-13-9-19(24(35)33-7-5-32(2)6-8-33)30-18(13)11-15-20-21(27-12-28-22(20)31-23(15)34)29-14-3-4-17(26)16(25)10-14/h3-4,9-12,30H,5-8H2,1-2H3,(H2,27,28,29,31,34)/b15-11-
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| InChIKey |
FNFNGVSJMJREKW-PTNGSMBKSA-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