General Information of the Compound
| Compound ID |
CP0384941
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| Compound Name |
2-[[(E)-3-quinolin-2-ylprop-2-enoyl]amino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C19H18N2O3
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| Molecular Weight |
322.364
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)\C=C\c1ccc2ccccc2n1
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| InChI |
InChI=1S/C19H18N2O3/c22-18(21-17-8-4-2-6-15(17)19(23)24)12-11-14-10-9-13-5-1-3-7-16(13)20-14/h1,3,5,7,9-12H,2,4,6,8H2,(H,21,22)(H,23,24)/b12-11+
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| InChIKey |
PEWSHEKHERZQOM-VAWYXSNFSA-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