General Information of the Compound
| Compound ID |
CP0267274
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| Compound Name |
5-(4-methoxyphenyl)sulfanyl-9H-pyrimido[4,5-b]indole-2,4-diamine
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| Structure |
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| Formula |
C17H15N5OS
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| Molecular Weight |
337.408
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| Canonical SMILES |
COc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
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| InChI |
InChI=1S/C17H15N5OS/c1-23-9-5-7-10(8-6-9)24-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
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| InChIKey |
UIVZFFJWNPQWMA-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