General Information of the Compound
| Compound ID |
CP0515509
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| Compound Name |
2-[(3,6-dimethyl-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide
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| Structure |
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| Formula |
C18H18N4O2S3
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| Molecular Weight |
418.569
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| Canonical SMILES |
CC1Cc2nc(SCC(=O)Nc3nc4ccc(C)cc4s3)n(C)c(=O)c2S1
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| InChI |
InChI=1S/C18H18N4O2S3/c1-9-4-5-11-13(6-9)27-17(19-11)21-14(23)8-25-18-20-12-7-10(2)26-15(12)16(24)22(18)3/h4-6,10H,7-8H2,1-3H3,(H,19,21,23)
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| InChIKey |
RBFDSBJDWZOTGR-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