General Information of the Compound
| Compound ID |
CP0389854
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| Compound Name |
methyl 5-(adamantane-1-carbonylamino)-1-[(4-nitrophenyl)methyl]-2-oxoquinoline-3-carboxylate
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| Structure |
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| Formula |
C29H29N3O6
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| Molecular Weight |
515.566
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| Canonical SMILES |
COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n(Cc2ccc(cc2)[N+]([O-])=O)c1=O
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| InChI |
InChI=1S/C29H29N3O6/c1-38-27(34)23-12-22-24(30-28(35)29-13-18-9-19(14-29)11-20(10-18)15-29)3-2-4-25(22)31(26(23)33)16-17-5-7-21(8-6-17)32(36)37/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,30,35)
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| InChIKey |
CGRGABRGXRDFAH-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