General Information of the Compound
| Compound ID |
CP0243354
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| Compound Name |
methyl 2-[(6-cyclopentyloxy-7-methoxy-1-phenyl-3,4-dihydroisoquinoline-3-carbonyl)amino]acetate
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| Structure |
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| Formula |
C25H28N2O5
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| Molecular Weight |
436.508
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| Canonical SMILES |
COC(=O)CNC(=O)C1Cc2cc(OC3CCCC3)c(OC)cc2C(=N1)c1ccccc1
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| InChI |
InChI=1S/C25H28N2O5/c1-30-21-14-19-17(13-22(21)32-18-10-6-7-11-18)12-20(25(29)26-15-23(28)31-2)27-24(19)16-8-4-3-5-9-16/h3-5,8-9,13-14,18,20H,6-7,10-12,15H2,1-2H3,(H,26,29)
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| InChIKey |
YFZOTNMKCKNHIX-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