General Information of the Compound
| Compound ID |
CP0523836
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| Compound Name |
3-(3-chlorophenylsulfonyl)-N-isopentylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C18H18ClN5O2S2
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| Molecular Weight |
435.962
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| Canonical SMILES |
CC(C)CCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H18ClN5O2S2/c1-11(2)6-8-20-16-15-14(7-9-27-15)24-17(21-16)18(22-23-24)28(25,26)13-5-3-4-12(19)10-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,20,21)
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| InChIKey |
PIQRWEDERISCSU-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