General Information of the Compound
| Compound ID |
CP0408779
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-heptyl-phenyl)-amide
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| Structure |
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| Formula |
C36H38N2O3
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| Molecular Weight |
546.711
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| Canonical SMILES |
CCCCCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C36H38N2O3/c1-2-3-4-5-7-13-27-20-22-31(23-21-27)37-35(39)34-25-28-14-10-11-15-30(28)26-38(34)36(40)29-16-12-19-33(24-29)41-32-17-8-6-9-18-32/h6,8-12,14-24,34H,2-5,7,13,25-26H2,1H3,(H,37,39)/t34-/m1/s1
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| InChIKey |
IVDKAAFMRVBVQS-UUWRZZSWSA-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