General Information of the Compound
| Compound ID |
CP0497567
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| Compound Name |
3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(3-methoxyphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C30H32N2O5
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| Molecular Weight |
500.595
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| Canonical SMILES |
COc1cccc(c1)C(CC(C)C)NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O
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| InChI |
InChI=1S/C30H32N2O5/c1-20(2)14-28(24-7-5-8-25(17-24)36-3)32-30(35)27-16-22(10-11-23(27)12-13-29(33)34)19-37-26-9-4-6-21(15-26)18-31/h4-11,15-17,20,28H,12-14,19H2,1-3H3,(H,32,35)(H,33,34)
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| InChIKey |
GDWMTIHMWHKREU-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