General Information of the Compound
| Compound ID |
CP0505512
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| Compound Name |
3-(2-ethylsulfanylphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
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| Structure |
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| Formula |
C21H24N4OS
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| Molecular Weight |
380.517
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| Canonical SMILES |
CCSc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C21H24N4OS/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3
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| InChIKey |
HHVZITOLHMONBI-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