General Information of the Compound
| Compound ID |
CP0470242
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| Compound Name |
1-(1,3-benzothiazol-2-yl)-6-phenylhexan-1-one
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| Structure |
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| Formula |
C19H19NOS
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| Molecular Weight |
309.434
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| Canonical SMILES |
O=C(CCCCCc1ccccc1)c1nc2ccccc2s1
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| InChI |
InChI=1S/C19H19NOS/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
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| InChIKey |
QKICNSKZVAXBRS-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