General Information of the Compound
| Compound ID |
CP0556201
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| Compound Name |
methyl 5-[(2-cyclohexylacetyl)amino]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylate
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| Structure |
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| Formula |
C27H30N2O5
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| Molecular Weight |
462.546
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| Canonical SMILES |
COC(=O)c1cc2c(NC(=O)CC3CCCCC3)cccc2n(Cc2ccc(OC)cc2)c1=O
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| InChI |
InChI=1S/C27H30N2O5/c1-33-20-13-11-19(12-14-20)17-29-24-10-6-9-23(21(24)16-22(26(29)31)27(32)34-2)28-25(30)15-18-7-4-3-5-8-18/h6,9-14,16,18H,3-5,7-8,15,17H2,1-2H3,(H,28,30)
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| InChIKey |
ZHEGQSPYADZWNV-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