General Information of the Compound
| Compound ID |
CP0248077
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C28H31NO6
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| Molecular Weight |
477.557
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C28H31NO6/c1-20-25(33-2)16-23(17-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)18-22-11-13-24(14-12-22)35-19-27(30)31/h4-6,8-9,11-14,16-17H,7,10,15,18-19H2,1-3H3,(H,30,31)
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| InChIKey |
PLXXUMCDNICFNH-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