General Information of the Compound
| Compound ID |
CP0495242
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| Compound Name |
1-(2,4-diamino-5-ethylsulfanylquinazolin-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 |
CCSc1cc(cc2nc(N)nc(N)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
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| InChI |
InChI=1S/C21H25N5OS/c1-5-28-16-7-12(6-13-18(16)19(22)25-20(23)24-13)26-10-11(2)17-14(26)8-21(3,4)9-15(17)27/h6-7,10H,5,8-9H2,1-4H3,(H4,22,23,24,25)
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| InChIKey |
WPLHMVSRQSBZGM-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