General Information of the Compound
| Compound ID |
CP0511815
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| Compound Name |
3-[2-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C34H35NO5
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| Molecular Weight |
537.656
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(cc1)-c1ccccc1CCC(O)=O
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| InChI |
InChI=1S/C34H35NO5/c1-39-30-21-29(22-31(23-30)40-2)34(38)35(20-8-11-25-9-4-3-5-10-25)24-26-14-16-28(17-15-26)32-13-7-6-12-27(32)18-19-33(36)37/h3-7,9-10,12-17,21-23H,8,11,18-20,24H2,1-2H3,(H,36,37)
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| InChIKey |
MRAYZONGBXTQKB-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