General Information of the Compound
| Compound ID |
CP0316875
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| Compound Name |
6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine
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| Structure |
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| Formula |
C18H22N4O2S
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| Molecular Weight |
358.467
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| Canonical SMILES |
Cc1[nH]nc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)c1C
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| InChI |
InChI=1S/C18H22N4O2S/c1-11-12(2)21-22-17(11)20-16-8-9-19-15-7-6-13(10-14(15)16)25(23,24)18(3,4)5/h6-10H,1-5H3,(H2,19,20,21,22)
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| InChIKey |
CYSCYSCNHFTWFQ-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