General Information of the Compound
| Compound ID |
CP0499882
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-ethoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H28N2O4
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| Molecular Weight |
492.575
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| Canonical SMILES |
CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C31H28N2O4/c1-2-36-26-17-15-25(16-18-26)32-30(34)29-20-22-9-6-7-10-24(22)21-33(29)31(35)23-11-8-14-28(19-23)37-27-12-4-3-5-13-27/h3-19,29H,2,20-21H2,1H3,(H,32,34)/t29-/m1/s1
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| InChIKey |
VBGCDBLFWIEKAK-GDLZYMKVSA-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