General Information of the Compound
| Compound ID |
CP0475228
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-hydroxy-2-(1-methyl-2-phenylindol-3-yl)acetamide
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| Structure |
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| Formula |
C36H37N3O4
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| Molecular Weight |
575.709
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)C(O)c4c(-c5ccccc5)n(C)c5ccccc45)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C36H37N3O4/c1-38-30-12-8-7-11-29(30)33(34(38)25-9-5-4-6-10-25)35(40)36(41)37-28-15-13-24(14-16-28)17-19-39-20-18-26-21-31(42-2)32(43-3)22-27(26)23-39/h4-16,21-22,35,40H,17-20,23H2,1-3H3,(H,37,41)
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| InChIKey |
KMFZXLMKEKPZFV-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