General Information of the Compound
| Compound ID |
CP0408778
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| Compound Name |
2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-chloro-phenyl)-amide
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| Structure |
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| Formula |
C29H23ClN2O3
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| Molecular Weight |
482.967
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| Canonical SMILES |
Clc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C29H23ClN2O3/c30-23-13-15-24(16-14-23)31-28(33)27-18-20-7-4-5-8-22(20)19-32(27)29(34)21-9-6-12-26(17-21)35-25-10-2-1-3-11-25/h1-17,27H,18-19H2,(H,31,33)
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| InChIKey |
OMKDCTIYUUPVEG-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