General Information of the Compound
| Compound ID |
CP0426903
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| Compound Name |
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoylamino]phenyl]-3,4-dimethoxybenzamide
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| Structure |
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| Formula |
C35H38N4O6
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| Molecular Weight |
610.711
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)Nc1ccccc1NC(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
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| InChI |
InChI=1S/C35H38N4O6/c1-42-30-14-11-25(20-31(30)43-2)34(40)37-28-7-5-6-8-29(28)38-35(41)36-27-12-9-23(10-13-27)15-17-39-18-16-24-19-32(44-3)33(45-4)21-26(24)22-39/h5-14,19-21H,15-18,22H2,1-4H3,(H,37,40)(H2,36,38,41)
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| InChIKey |
CRHUEJTVQJBKIR-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