General Information of the Compound
| Compound ID |
CP0382246
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| Compound Name |
(S)-2-(3-Methoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
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| Structure |
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| Formula |
C29H32N2O3
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| Molecular Weight |
456.586
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC)c2)cc1
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| InChI |
InChI=1S/C29H32N2O3/c1-3-4-5-9-21-14-16-25(17-15-21)30-28(32)27-19-22-10-6-7-11-24(22)20-31(27)29(33)23-12-8-13-26(18-23)34-2/h6-8,10-18,27H,3-5,9,19-20H2,1-2H3,(H,30,32)/t27-/m0/s1
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| InChIKey |
XWSBOTOJAPKMGC-MHZLTWQESA-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