General Information of the Compound
| Compound ID |
CP0417729
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| Compound Name |
N-[5-chloro-4-(4-propan-2-ylanilino)-9H-pyrimido[4,5-b]indol-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C24H26ClN5O
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| Molecular Weight |
435.959
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| Canonical SMILES |
CC(C)c1ccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)cc1
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| InChI |
InChI=1S/C24H26ClN5O/c1-13(2)14-9-11-15(12-10-14)26-20-19-18-16(25)7-6-8-17(18)27-21(19)29-23(28-20)30-22(31)24(3,4)5/h6-13H,1-5H3,(H3,26,27,28,29,30,31)
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| InChIKey |
OWTAPYYEOHRLCY-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