General Information of the Compound
| Compound ID |
CP0403131
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| Compound Name |
(S)-2-(3-Chloro-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
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| Structure |
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| Formula |
C28H29ClN2O2
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| Molecular Weight |
461.005
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C28H29ClN2O2/c1-2-3-4-8-20-13-15-25(16-14-20)30-27(32)26-18-21-9-5-6-10-23(21)19-31(26)28(33)22-11-7-12-24(29)17-22/h5-7,9-17,26H,2-4,8,18-19H2,1H3,(H,30,32)/t26-/m0/s1
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| InChIKey |
BSXRWYYKSZXMKN-SANMLTNESA-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