General Information of the Compound
| Compound ID |
CP0520015
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| Compound Name |
1-[4-amino-8-(2-aminoethylsulfanyl)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
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| Structure |
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| Formula |
C21H25N5OS
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| Molecular Weight |
395.532
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| Canonical SMILES |
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCCN
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| InChI |
InChI=1S/C21H25N5OS/c1-12-10-26(15-8-21(2,3)9-16(27)17(12)15)14-5-4-13-18(19(14)28-7-6-22)24-11-25-20(13)23/h4-5,10-11H,6-9,22H2,1-3H3,(H2,23,24,25)
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| InChIKey |
QLLRSXADVRQNHU-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