General Information of the Compound
| Compound ID |
CP0508286
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| Compound Name |
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(6-fluoropyridin-2-yl)methyl]pyridin-2-amine
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| Structure |
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| Formula |
C21H24FN5O3S2
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| Molecular Weight |
477.587
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| Canonical SMILES |
Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCS(=O)(=O)CC2)oc1C
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| InChI |
InChI=1S/C21H24FN5O3S2/c1-14-15(2)30-21(24-14)31-13-17-10-18(27-6-8-32(28,29)9-7-27)11-20(26-17)23-12-16-4-3-5-19(22)25-16/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,23,26)
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| InChIKey |
NHIWFCNAFPFPKZ-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