General Information of the Compound
| Compound ID |
CP0494429
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| Compound Name |
(S)-2-(3-Ethoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
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| Structure |
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| Formula |
C30H34N2O3
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| Molecular Weight |
470.613
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OCC)c2)cc1
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| InChI |
InChI=1S/C30H34N2O3/c1-3-5-6-10-22-15-17-26(18-16-22)31-29(33)28-20-23-11-7-8-12-25(23)21-32(28)30(34)24-13-9-14-27(19-24)35-4-2/h7-9,11-19,28H,3-6,10,20-21H2,1-2H3,(H,31,33)/t28-/m0/s1
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| InChIKey |
AHKVITFPGPOGSJ-NDEPHWFRSA-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