General Information of the Compound
| Compound ID |
CP0476570
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| Compound Name |
N-[5-chloro-4-(3-fluoroanilino)-9H-pyrimido[4,5-b]indol-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C21H19ClFN5O
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| Molecular Weight |
411.868
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| Canonical SMILES |
CC(C)(C)C(=O)Nc1nc(Nc2cccc(F)c2)c2c(n1)[nH]c1cccc(Cl)c21
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| InChI |
InChI=1S/C21H19ClFN5O/c1-21(2,3)19(29)28-20-26-17(24-12-7-4-6-11(23)10-12)16-15-13(22)8-5-9-14(15)25-18(16)27-20/h4-10H,1-3H3,(H3,24,25,26,27,28,29)
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| InChIKey |
PEJVLEHFOXMTEA-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: PT00922, Epidermal growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2