General Information of the Compound
| Compound ID |
CP0434373
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| Compound Name |
N-[[4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrol-2-yl]methyl]cyclopropanesulfonamide
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| Structure |
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| Formula |
C18H20N4O3S3
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| Molecular Weight |
436.584
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| Canonical SMILES |
Cc1sc2ncnc(SCC(=O)c3c[nH]c(CNS(=O)(=O)C4CC4)c3)c2c1C
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| InChI |
InChI=1S/C18H20N4O3S3/c1-10-11(2)27-18-16(10)17(20-9-21-18)26-8-15(23)12-5-13(19-6-12)7-22-28(24,25)14-3-4-14/h5-6,9,14,19,22H,3-4,7-8H2,1-2H3
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| InChIKey |
MFGFOSFPBTUNJN-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