General Information of the Compound
| Compound ID |
CP0445697
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| Compound Name |
2-[2-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]phenyl]acetic acid
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| Structure |
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| Formula |
C33H33NO5
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| Molecular Weight |
523.629
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(cc1)-c1ccccc1CC(O)=O
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| InChI |
InChI=1S/C33H33NO5/c1-38-29-19-28(20-30(22-29)39-2)33(37)34(18-8-11-24-9-4-3-5-10-24)23-25-14-16-26(17-15-25)31-13-7-6-12-27(31)21-32(35)36/h3-7,9-10,12-17,19-20,22H,8,11,18,21,23H2,1-2H3,(H,35,36)
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| InChIKey |
NUDBYKANKBWSNK-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