General Information of the Compound
| Compound ID |
CP0140083
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| Compound Name |
11-benzyl-5-ethylsulfanyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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| Structure |
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| Formula |
C24H23N3OS2
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| Molecular Weight |
433.602
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| Canonical SMILES |
CCSc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C24H23N3OS2/c1-2-29-24-25-22-21(23(28)27(24)18-11-7-4-8-12-18)19-13-14-26(16-20(19)30-22)15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3
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| InChIKey |
XGZDCBGAMNLKSW-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