General Information of the Compound
| Compound ID |
CP0469008
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| Compound Name |
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C17H19NO5
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| Molecular Weight |
317.341
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C17H19NO5/c19-16(18-13-4-2-1-3-12(13)17(20)21)8-6-11-5-7-14-15(9-11)23-10-22-14/h5,7,9H,1-4,6,8,10H2,(H,18,19)(H,20,21)
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| InChIKey |
UBLBLKOMUBYESK-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