General Information of the Compound
| Compound ID |
CP0447723
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| Compound Name |
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
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| Structure |
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| Formula |
C21H23ClFN3O2
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| Molecular Weight |
403.885
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| Canonical SMILES |
Fc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
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| InChI |
InChI=1S/C21H23ClFN3O2/c22-13-19(27)26(18-10-8-16(23)9-11-18)20(15-5-4-12-24-14-15)21(28)25-17-6-2-1-3-7-17/h4-5,8-12,14,17,20H,1-3,6-7,13H2,(H,25,28)
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| InChIKey |
IGCXFVOTAXQEEE-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