General Information of the Compound
| Compound ID |
CP0392862
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| Compound Name |
propyl 5-(adamantane-1-carbonylamino)-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylate
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| Structure |
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| Formula |
C32H36N2O5
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| Molecular Weight |
528.649
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| Canonical SMILES |
CCCOC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(OC)cc2)c1=O
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| InChI |
InChI=1S/C32H36N2O5/c1-3-11-39-30(36)26-15-25-27(33-31(37)32-16-21-12-22(17-32)14-23(13-21)18-32)5-4-6-28(25)34(29(26)35)19-20-7-9-24(38-2)10-8-20/h4-10,15,21-23H,3,11-14,16-19H2,1-2H3,(H,33,37)
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| InChIKey |
JRJILUWGNPMHAT-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