General Information of the Compound
| Compound ID |
CP0505868
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| Compound Name |
4-[[2-[(2-cumidino-2-keto-ethyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
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| Structure |
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| Formula |
C25H23N3O4S2
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| Molecular Weight |
493.61
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C25H23N3O4S2/c1-15(2)17-7-9-19(10-8-17)26-21(29)14-34-25-27-20-11-12-33-22(20)23(30)28(25)13-16-3-5-18(6-4-16)24(31)32/h3-12,15H,13-14H2,1-2H3,(H,26,29)(H,31,32)
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| InChIKey |
POGCDQMDUOSOKA-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