General Information of the Compound
| Compound ID |
CP0524148
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| Compound Name |
4-N-(3-chlorophenyl)-6-N-(3-methylsulfanylpropyl)quinazoline-4,6-diamine
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| Structure |
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| Formula |
C18H19ClN4S
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| Molecular Weight |
358.898
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| Canonical SMILES |
CSCCCNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C18H19ClN4S/c1-24-9-3-8-20-14-6-7-17-16(11-14)18(22-12-21-17)23-15-5-2-4-13(19)10-15/h2,4-7,10-12,20H,3,8-9H2,1H3,(H,21,22,23)
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| InChIKey |
RAAGRRXTDVCVCJ-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