General Information of the Compound
| Compound ID |
CP0445816
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]-5-methylbenzoic acid
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| Structure |
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| Formula |
C34H35NO6
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| Molecular Weight |
553.655
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(C)cc2C(O)=O)cc1
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| InChI |
InChI=1S/C34H35NO6/c1-23-12-17-30(29(19-23)34(37)38)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-31(39-3)24(2)32(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)
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| InChIKey |
NJXKQOLFTMHFOA-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