General Information of the Compound
| Compound ID |
CP0564183
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| Compound Name |
7-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)heptan-1-one
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| Structure |
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| Formula |
C21H22N2OS
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| Molecular Weight |
350.487
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nnc(s1)-c1ccccc1
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| InChI |
InChI=1S/C21H22N2OS/c24-19(16-10-2-1-5-11-17-12-6-3-7-13-17)21-23-22-20(25-21)18-14-8-4-9-15-18/h3-4,6-9,12-15H,1-2,5,10-11,16H2
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| InChIKey |
SVECLRIRGLGNIS-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