General Information of the Compound
| Compound ID |
CP0502403
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| Compound Name |
3-(4-ethylphenylsulfonyl)-N-isopropylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C18H19N5O2S2
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| Molecular Weight |
401.517
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NC(C)C)nc12
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| InChI |
InChI=1S/C18H19N5O2S2/c1-4-12-5-7-13(8-6-12)27(24,25)18-17-20-16(19-11(2)3)15-14(9-10-26-15)23(17)22-21-18/h5-11H,4H2,1-3H3,(H,19,20)
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| InChIKey |
VPRPMBXDNMGHMB-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