General Information of the Compound
| Compound ID |
CP0511814
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| Compound Name |
2-[4-[[(4-methoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C31H29NO4
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| Molecular Weight |
479.576
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N(CCCc1ccccc1)Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C31H29NO4/c1-36-27-19-17-26(18-20-27)30(33)32(21-7-10-23-8-3-2-4-9-23)22-24-13-15-25(16-14-24)28-11-5-6-12-29(28)31(34)35/h2-6,8-9,11-20H,7,10,21-22H2,1H3,(H,34,35)
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| InChIKey |
NNBSSFUIODWRAJ-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