General Information of the Compound
| Compound ID |
CP0475425
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| Compound Name |
3-(2,5-dimethylphenylsulfonyl)-N-phenethylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C23H21N5O2S2
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| Molecular Weight |
463.588
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| Canonical SMILES |
Cc1ccc(C)c(c1)S(=O)(=O)c1nnn2c3ccsc3c(NCCc3ccccc3)nc12
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| InChI |
InChI=1S/C23H21N5O2S2/c1-15-8-9-16(2)19(14-15)32(29,30)23-22-25-21(24-12-10-17-6-4-3-5-7-17)20-18(11-13-31-20)28(22)27-26-23/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,25)
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| InChIKey |
NQCDANBJAVNUFD-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