General Information of the Compound
| Compound ID |
CP0220824
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| Compound Name |
[2-[4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]-3,4-dihydro-1H-isoquinolin-7-yl] sulfamate
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| Structure |
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| Formula |
C25H28N4O4S
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| Molecular Weight |
480.59
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| Canonical SMILES |
CCN(Cc1ccc(cc1)C(=O)N1CCc2ccc(OS(N)(=O)=O)cc2C1)Cc1ccccn1
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| InChI |
InChI=1S/C25H28N4O4S/c1-2-28(18-23-5-3-4-13-27-23)16-19-6-8-21(9-7-19)25(30)29-14-12-20-10-11-24(15-22(20)17-29)33-34(26,31)32/h3-11,13,15H,2,12,14,16-18H2,1H3,(H2,26,31,32)
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| InChIKey |
QVXMVMXYAKQLMU-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