General Information of the Compound
| Compound ID |
CP0373664
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| Compound Name |
3-[2-({[1-(3,4-Dimethylphenyl)-3-methylbutyl]amino}-carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C30H35NO4
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| Molecular Weight |
473.613
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C30H35NO4/c1-20(2)16-28(25-12-10-21(3)22(4)17-25)31-30(34)27-18-23(11-13-24(27)14-15-29(32)33)19-35-26-8-6-5-7-9-26/h5-13,17-18,20,28H,14-16,19H2,1-4H3,(H,31,34)(H,32,33)
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| InChIKey |
QPNYAFGLQDXISG-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