General Information of the Compound
| Compound ID |
CP0468757
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| Compound Name |
2-chloro-N-heptyl-N-(3-methylphenyl)acetamide
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| Structure |
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| Formula |
C16H24ClNO
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| Molecular Weight |
281.827
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| Canonical SMILES |
CCCCCCCN(C(=O)CCl)c1cccc(C)c1
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| InChI |
InChI=1S/C16H24ClNO/c1-3-4-5-6-7-11-18(16(19)13-17)15-10-8-9-14(2)12-15/h8-10,12H,3-7,11,13H2,1-2H3
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| InChIKey |
CXTUMFRDQUSBHQ-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8
Protein ID: PT05526, Phospholipid hydroperoxide glutathione peroxidase GPX4