General Information of the Compound
| Compound ID |
CP0494170
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| Compound Name |
methyl N-[4-[4-amino-5-(5-amino-4-chloro-2-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-bicyclo[2.2.2]octanyl]carbamate
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| Formula |
C22H24ClFN6O2
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| Molecular Weight |
458.925
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| Canonical SMILES |
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
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| InChI |
InChI=1S/C22H24ClFN6O2/c1-32-20(31)29-21-2-5-22(6-3-21,7-4-21)30-10-13(17-18(26)27-11-28-19(17)30)12-8-16(25)14(23)9-15(12)24/h8-11H,2-7,25H2,1H3,(H,29,31)(H2,26,27,28)
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| InChIKey |
FJTQBVRKZLEDPK-UHFFFAOYSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2