General Information of the Compound
| Compound ID |
CP0089898
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| Compound Name |
5-chloro-2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]benzoic acid
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| Structure |
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| Formula |
C33H32ClNO6
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| Molecular Weight |
574.073
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccc(Cl)cc2C(O)=O)cc1
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| InChI |
InChI=1S/C33H32ClNO6/c1-22-30(39-2)18-25(19-31(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-29-16-13-26(34)20-28(29)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38)
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| InChIKey |
DAOODVJVNUBOQM-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