General Information of the Compound
| Compound ID |
CP0410638
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| Compound Name |
methyl 4-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(quinoline-2-carbonylamino)benzoate
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| Structure |
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| Formula |
C35H31N3O3
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| Molecular Weight |
541.651
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| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CCN2CCc3ccccc3C2)cc1
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| InChI |
InChI=1S/C35H31N3O3/c1-41-35(40)30-16-14-28(22-33(30)37-34(39)32-17-15-27-7-4-5-9-31(27)36-32)26-12-10-24(11-13-26)18-20-38-21-19-25-6-2-3-8-29(25)23-38/h2-17,22H,18-21,23H2,1H3,(H,37,39)
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| InChIKey |
XONXNNHMHOBHPW-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