General Information of the Compound
| Compound ID |
CP0504474
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| Compound Name |
1-(3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C19H18N6O3S2
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| Molecular Weight |
442.526
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| Canonical SMILES |
NC(=O)C1CCN(CC1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H18N6O3S2/c20-16(26)12-6-9-24(10-7-12)17-15-14(8-11-29-15)25-18(21-17)19(22-23-25)30(27,28)13-4-2-1-3-5-13/h1-5,8,11-12H,6-7,9-10H2,(H2,20,26)
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| InChIKey |
VFXFCGIBMAUYDT-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