General Information of the Compound
| Compound ID |
CP0335212
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| Compound Name |
2-chloranyl-N-hexyl-N-phenyl-ethanamide
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| Structure |
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| Formula |
C14H20ClNO
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| Molecular Weight |
253.773
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| Canonical SMILES |
CCCCCCN(C(=O)CCl)c1ccccc1
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| InChI |
InChI=1S/C14H20ClNO/c1-2-3-4-8-11-16(14(17)12-15)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
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| InChIKey |
SMNOCVUFCBKAEU-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8
Protein ID: PT01214, Tyrosine-protein kinase JAK2