General Information of the Compound
| Compound ID |
CP0452373
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| Compound Name |
6,7-dimethoxy-2-(2-phenylethylsulfanyl)quinazolin-4-amine
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| Structure |
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| Formula |
C18H19N3O2S
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| Molecular Weight |
341.436
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| Canonical SMILES |
COc1cc2nc(SCCc3ccccc3)nc(N)c2cc1OC
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| InChI |
InChI=1S/C18H19N3O2S/c1-22-15-10-13-14(11-16(15)23-2)20-18(21-17(13)19)24-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
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| InChIKey |
SHDJVCKKSHMHIV-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