General Information of the Compound
| Compound ID |
CP0447170
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| Compound Name |
2-(N-(2-chloro-1-oxoethyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C24H29ClN2O3
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| Molecular Weight |
428.96
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| Canonical SMILES |
COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(C)cc1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C24H29ClN2O3/c1-17-8-12-20(13-9-17)27(22(28)16-25)23(18-10-14-21(30-2)15-11-18)24(29)26-19-6-4-3-5-7-19/h8-15,19,23H,3-7,16H2,1-2H3,(H,26,29)
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| InChIKey |
CZIXLHOOLIYHDR-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