General Information of the Compound
| Compound ID |
CP0555797
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| Compound Name |
3-[3-[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]propoxy]benzoic acid
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| Structure |
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| Formula |
C29H33NO6
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| Molecular Weight |
491.584
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCCOc1cccc(c1)C(O)=O)CCCc1ccccc1
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| InChI |
InChI=1S/C29H33NO6/c1-21-26(34-2)19-24(20-27(21)35-3)28(31)30(15-8-12-22-10-5-4-6-11-22)16-9-17-36-25-14-7-13-23(18-25)29(32)33/h4-7,10-11,13-14,18-20H,8-9,12,15-17H2,1-3H3,(H,32,33)
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| InChIKey |
WJUITMQSMAYOCF-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