General Information of the Compound
| Compound ID |
CP0465057
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| Compound Name |
2-[4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenoxy]benzoic acid
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| Structure |
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| Formula |
C33H33NO7
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| Molecular Weight |
555.627
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
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| InChI |
InChI=1S/C33H33NO7/c1-38-29-20-25(21-30(39-2)31(29)40-3)32(35)34(19-9-12-23-10-5-4-6-11-23)22-24-15-17-26(18-16-24)41-28-14-8-7-13-27(28)33(36)37/h4-8,10-11,13-18,20-21H,9,12,19,22H2,1-3H3,(H,36,37)
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| InChIKey |
ZKSPRLPKCUVCGD-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