General Information of the Compound
| Compound ID |
CP0495230
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| Compound Name |
(S)-2-(3-Cyclopentyloxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
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| Structure |
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| Formula |
C33H38N2O3
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| Molecular Weight |
510.678
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC3CCCC3)c2)cc1
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| InChI |
InChI=1S/C33H38N2O3/c1-2-3-4-10-24-17-19-28(20-18-24)34-32(36)31-22-25-11-5-6-12-27(25)23-35(31)33(37)26-13-9-16-30(21-26)38-29-14-7-8-15-29/h5-6,9,11-13,16-21,29,31H,2-4,7-8,10,14-15,22-23H2,1H3,(H,34,36)/t31-/m0/s1
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| InChIKey |
NLEWIEMYSHUTEO-HKBQPEDESA-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