General Information of the Compound
| Compound ID |
CP0434207
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| Compound Name |
N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C30H30N2O4S
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| Molecular Weight |
514.647
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| Canonical SMILES |
COc1cc2CCN(Cc3ccc(cc3)-c3ccc(NS(=O)(=O)c4ccccc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C30H30N2O4S/c1-35-29-18-25-16-17-32(21-26(25)19-30(29)36-2)20-22-8-10-23(11-9-22)24-12-14-27(15-13-24)31-37(33,34)28-6-4-3-5-7-28/h3-15,18-19,31H,16-17,20-21H2,1-2H3
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| InChIKey |
ZLHDNJDMVVODDT-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