General Information of the Compound
| Compound ID |
CP0481815
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| Compound Name |
3-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]benzoic acid
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| Structure |
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| Formula |
C32H31NO6
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| Molecular Weight |
525.601
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2cccc(c2)C(O)=O)cc1
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| InChI |
InChI=1S/C32H31NO6/c1-37-29-19-26(20-30(21-29)38-2)31(34)33(17-7-10-23-8-4-3-5-9-23)22-24-13-15-27(16-14-24)39-28-12-6-11-25(18-28)32(35)36/h3-6,8-9,11-16,18-21H,7,10,17,22H2,1-2H3,(H,35,36)
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| InChIKey |
CQGCQTYFJQFJBJ-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