General Information of the Compound
| Compound ID |
CP0520014
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| Compound Name |
1-(4-amino-8-prop-2-enylsulfanylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
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| Structure |
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| Formula |
C22H24N4OS
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| Molecular Weight |
392.528
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| Canonical SMILES |
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCC=C
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| InChI |
InChI=1S/C22H24N4OS/c1-5-8-28-20-15(7-6-14-19(20)24-12-25-21(14)23)26-11-13(2)18-16(26)9-22(3,4)10-17(18)27/h5-7,11-12H,1,8-10H2,2-4H3,(H2,23,24,25)
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| InChIKey |
GAGAVIWEYLYMIO-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