General Information of the Compound
| Compound ID |
CP0384490
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| Compound Name |
2-[3-(2-methylquinolin-6-yl)propanoylamino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C20H22N2O3
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| Molecular Weight |
338.407
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| Canonical SMILES |
Cc1ccc2cc(CCC(=O)NC3=C(CCCC3)C(O)=O)ccc2n1
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| InChI |
InChI=1S/C20H22N2O3/c1-13-6-9-15-12-14(7-10-17(15)21-13)8-11-19(23)22-18-5-3-2-4-16(18)20(24)25/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,22,23)(H,24,25)
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| InChIKey |
QVHFBUZVSZCREG-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