General Information of the Compound
| Compound ID |
CP0418958
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| Compound Name |
5-methyl-2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
CCCCCc1ccc(\C=C\C(=O)Nc2ccc(C)cc2C(O)=O)cc1
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| InChI |
InChI=1S/C22H25NO3/c1-3-4-5-6-17-8-10-18(11-9-17)12-14-21(24)23-20-13-7-16(2)15-19(20)22(25)26/h7-15H,3-6H2,1-2H3,(H,23,24)(H,25,26)/b14-12+
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| InChIKey |
RYKDKENSBSCWCU-WYMLVPIESA-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