General Information of the Compound
| Compound ID |
CP0168851
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| Compound Name |
6-tert-butylsulfonyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)quinolin-4-amine
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| Structure |
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| Formula |
C20H24N4O2S
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| Molecular Weight |
384.505
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4CCCCc34)c2c1
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| InChI |
InChI=1S/C20H24N4O2S/c1-20(2,3)27(25,26)13-8-9-16-15(12-13)17(10-11-21-16)22-19-14-6-4-5-7-18(14)23-24-19/h8-12H,4-7H2,1-3H3,(H2,21,22,23,24)
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| InChIKey |
ICFHBKASGMSAQP-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