General Information of the Compound
| Compound ID |
CP0389818
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| Compound Name |
4-[5-[[2-(1-adamantyl)acetyl]amino]quinolin-2-yl]benzoic acid
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| Structure |
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| Formula |
C28H28N2O3
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| Molecular Weight |
440.543
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
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| InChI |
InChI=1S/C28H28N2O3/c31-26(16-28-13-17-10-18(14-28)12-19(11-17)15-28)30-25-3-1-2-24-22(25)8-9-23(29-24)20-4-6-21(7-5-20)27(32)33/h1-9,17-19H,10-16H2,(H,30,31)(H,32,33)
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| InChIKey |
CBTIQAPTVVZFDU-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