General Information of the Compound
| Compound ID |
CP0376816
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| Compound Name |
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyridin-4-ylethyl)benzamide
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
O=C(NCCc1ccncc1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H23N3O3S/c27-23(25-14-10-18-8-12-24-13-9-18)20-6-3-7-22(16-20)30(28,29)26-15-11-19-4-1-2-5-21(19)17-26/h1-9,12-13,16H,10-11,14-15,17H2,(H,25,27)
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| InChIKey |
SHNFSQVBYMQAPJ-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