General Information of the Compound
| Compound ID |
CP0547859
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| Compound Name |
1-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
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| Structure |
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| Formula |
C19H18N4OS
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| Molecular Weight |
350.447
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| Canonical SMILES |
CC(O)CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1
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| InChI |
InChI=1S/C19H18N4OS/c1-13(24)12-25-19-22-21-18(23(19)15-8-3-2-4-9-15)17-11-14-7-5-6-10-16(14)20-17/h2-11,13,20,24H,12H2,1H3
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| InChIKey |
BVXCJAGSMKQLOW-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