General Information of the Compound
| Compound ID |
CP0567605
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| Compound Name |
2-[4-[[(3-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 |
COc1cccc(c1)C(=O)N(CCCc1ccccc1)Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C31H29NO4/c1-36-27-13-7-12-26(21-27)30(33)32(20-8-11-23-9-3-2-4-10-23)22-24-16-18-25(19-17-24)28-14-5-6-15-29(28)31(34)35/h2-7,9-10,12-19,21H,8,11,20,22H2,1H3,(H,34,35)
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| InChIKey |
GSYGAEACTSMQPG-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