General Information of the Compound
| Compound ID |
CP0378109
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| Compound Name |
(R)-2-[3-(4-Methoxy-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 |
C30H25ClN2O4
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| Molecular Weight |
512.993
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| Canonical SMILES |
COc1ccc(Oc2cccc(c2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C30H25ClN2O4/c1-36-25-13-15-26(16-14-25)37-27-8-4-7-21(17-27)30(35)33-19-22-6-3-2-5-20(22)18-28(33)29(34)32-24-11-9-23(31)10-12-24/h2-17,28H,18-19H2,1H3,(H,32,34)/t28-/m1/s1
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| InChIKey |
OJHJKKWAJPWADP-MUUNZHRXSA-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