General Information of the Compound
| Compound ID |
CP0411961
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| Compound Name |
methyl 5-(adamantane-1-carbonylamino)-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylate
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| Structure |
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| Formula |
C30H32N2O5
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| Molecular Weight |
500.595
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| Canonical SMILES |
COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(OC)cc2)c1=O
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| InChI |
InChI=1S/C30H32N2O5/c1-36-22-8-6-18(7-9-22)17-32-26-5-3-4-25(23(26)13-24(27(32)33)28(34)37-2)31-29(35)30-14-19-10-20(15-30)12-21(11-19)16-30/h3-9,13,19-21H,10-12,14-17H2,1-2H3,(H,31,35)
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| InChIKey |
MYBLJJZWKBQFRL-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