General Information of the Compound
| Compound ID |
CP0564180
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| Compound Name |
7-Phenyl-1-(5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)-heptan-1-one
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| Structure |
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| Formula |
C19H21N3OS
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| Molecular Weight |
339.464
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nnc([nH]1)-c1cccs1
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| InChI |
InChI=1S/C19H21N3OS/c23-16(18-20-19(22-21-18)17-13-8-14-24-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2,(H,20,21,22)
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| InChIKey |
OWNLALGZNPYCKV-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