General Information of the Compound
| Compound ID |
CP0567604
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(2-phenylethyl)amino]methyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C27H29NO6
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| Molecular Weight |
463.53
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCc1ccccc1)Cc1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C27H29NO6/c1-19-24(32-2)15-22(16-25(19)33-3)27(31)28(14-13-20-7-5-4-6-8-20)17-21-9-11-23(12-10-21)34-18-26(29)30/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,29,30)
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| InChIKey |
FDORZHLISAVKJL-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