General Information of the Compound
| Compound ID |
CP0076563
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| Compound Name |
2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinolin-7-yl]oxyethanol
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| Structure |
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| Formula |
C20H26N4O4S
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| Molecular Weight |
418.519
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| Canonical SMILES |
Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C
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| InChI |
InChI=1S/C20H26N4O4S/c1-12-13(2)23-24-19(12)22-15-6-7-21-16-11-17(28-9-8-25)18(10-14(15)16)29(26,27)20(3,4)5/h6-7,10-11,25H,8-9H2,1-5H3,(H2,21,22,23,24)
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| InChIKey |
HRBKEPLXBIHJME-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