General Information of the Compound
| Compound ID |
CP0859834
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| Compound Name |
N-(4-chloro-2-(pyridine-4-carbonyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
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| Structure |
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| Formula |
C21H18ClN3O3S
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| Molecular Weight |
427.913
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| Canonical SMILES |
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CNCC2
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| InChI |
InChI=1S/C21H18ClN3O3S/c22-17-2-4-20(19(12-17)21(26)15-6-8-23-9-7-15)25-29(27,28)18-3-1-14-5-10-24-13-16(14)11-18/h1-4,6-9,11-12,24-25H,5,10,13H2
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| InChIKey |
ZFACXJFGUZPDGM-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