General Information of the Compound
| Compound ID |
CP0473904
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| Compound Name |
6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-fluoropyridin-3-yl)methyl)-4-morpholinopyridin-2-amine
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| Structure |
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| Formula |
C21H24FN5O2S
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| Molecular Weight |
429.521
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| Canonical SMILES |
Cc1nc(SCc2cc(cc(NCc3ccc(F)nc3)n2)N2CCOCC2)oc1C
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| InChI |
InChI=1S/C21H24FN5O2S/c1-14-15(2)29-21(25-14)30-13-17-9-18(27-5-7-28-8-6-27)10-20(26-17)24-12-16-3-4-19(22)23-11-16/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,24,26)
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| InChIKey |
JXDOUBAASAWDFE-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