General Information of the Compound
| Compound ID |
CP0417730
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| Compound Name |
5-chloro-4-N-(4-chlorophenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
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| Structure |
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| Formula |
C16H11Cl2N5
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| Molecular Weight |
344.205
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| Canonical SMILES |
Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c21
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| InChI |
InChI=1S/C16H11Cl2N5/c17-8-4-6-9(7-5-8)20-14-13-12-10(18)2-1-3-11(12)21-15(13)23-16(19)22-14/h1-7H,(H4,19,20,21,22,23)
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| InChIKey |
VJQBMSSVRPHXIT-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