General Information of the Compound
| Compound ID |
CP0473414
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| Compound Name |
5-chloro-4-N-(3-methoxyphenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
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| Structure |
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| Formula |
C17H14ClN5O
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| Molecular Weight |
339.786
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| Canonical SMILES |
COc1cccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)c1
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| InChI |
InChI=1S/C17H14ClN5O/c1-24-10-5-2-4-9(8-10)20-15-14-13-11(18)6-3-7-12(13)21-16(14)23-17(19)22-15/h2-8H,1H3,(H4,19,20,21,22,23)
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| InChIKey |
WAXJONPSDKJXDR-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: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00864, Vascular endothelial growth factor receptor 2