General Information of the Compound
| Compound ID |
CP0495228
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| Compound Name |
(R)-2-[3-(4-Fluoro-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 |
C29H22ClFN2O3
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| Molecular Weight |
500.957
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| Canonical SMILES |
Fc1ccc(Oc2cccc(c2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C29H22ClFN2O3/c30-22-8-12-24(13-9-22)32-28(34)27-17-19-4-1-2-5-21(19)18-33(27)29(35)20-6-3-7-26(16-20)36-25-14-10-23(31)11-15-25/h1-16,27H,17-18H2,(H,32,34)/t27-/m1/s1
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| InChIKey |
IVDSFDCOHULLMD-HHHXNRCGSA-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