General Information of the Compound
| Compound ID |
CP0504464
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| Compound Name |
3-(3,4-dimethylphenylsulfonyl)-N-(1-phenylpropan-2-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C24H23N5O2S2
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| Molecular Weight |
477.615
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| Canonical SMILES |
CC(Cc1ccccc1)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C24H23N5O2S2/c1-15-9-10-19(13-16(15)2)33(30,31)24-23-26-22(21-20(11-12-32-21)29(23)28-27-24)25-17(3)14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,25,26)
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| InChIKey |
CVCSNDQLVPCGPD-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