General Information of the Compound
| Compound ID |
CP0530873
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| Compound Name |
2-[4-[[(3,5-dimethylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C32H31NO3
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| Molecular Weight |
477.604
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C32H31NO3/c1-23-19-24(2)21-28(20-23)31(34)33(18-8-11-25-9-4-3-5-10-25)22-26-14-16-27(17-15-26)29-12-6-7-13-30(29)32(35)36/h3-7,9-10,12-17,19-21H,8,11,18,22H2,1-2H3,(H,35,36)
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| InChIKey |
NCAMCIPTPPKVJE-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