General Information of the Compound
| Compound ID |
CP0479249
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| Compound Name |
N-(4-bromophenyl)-6-cyclopentyloxy-7-methoxy-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C28H27BrN2O3
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| Molecular Weight |
519.439
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| Canonical SMILES |
COc1cc2C(=NC(Cc2cc1OC1CCCC1)C(=O)Nc1ccc(Br)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H27BrN2O3/c1-33-25-17-23-19(16-26(25)34-22-9-5-6-10-22)15-24(31-27(23)18-7-3-2-4-8-18)28(32)30-21-13-11-20(29)12-14-21/h2-4,7-8,11-14,16-17,22,24H,5-6,9-10,15H2,1H3,(H,30,32)
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| InChIKey |
HLRLOWPDOZHWRF-UHFFFAOYSA-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