General Information of the Compound
| Compound ID |
CP0455201
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| Compound Name |
methyl 4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
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| Structure |
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| Formula |
C36H33N3O5
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| Molecular Weight |
587.676
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| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C36H33N3O5/c1-42-33-19-27-16-17-39(22-28(27)20-34(33)43-2)21-23-8-10-24(11-9-23)26-12-14-29(36(41)44-3)32(18-26)38-35(40)31-15-13-25-6-4-5-7-30(25)37-31/h4-15,18-20H,16-17,21-22H2,1-3H3,(H,38,40)
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| InChIKey |
LNCUOIFARAALBE-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