General Information of the Compound
| Compound ID |
CP0378108
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| Compound Name |
(R)-2-(2-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)[C@H]2Cc3ccccc3CN2C(=O)c2ccccc2Oc2ccccc2)cc1
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| InChI |
InChI=1S/C29H23ClN2O3/c30-22-14-16-23(17-15-22)31-28(33)26-18-20-8-4-5-9-21(20)19-32(26)29(34)25-12-6-7-13-27(25)35-24-10-2-1-3-11-24/h1-17,26H,18-19H2,(H,31,33)/t26-/m1/s1
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| InChIKey |
JCVKEZIUHRWUHU-AREMUKBSSA-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