General Information of the Compound
| Compound ID |
CP0536602
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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-methylpyridin-2-yl)methyl]pyridin-2-amine
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| Structure |
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| Formula |
C22H27N5O3S2
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| Molecular Weight |
473.624
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| Canonical SMILES |
Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCS(=O)(=O)CC2)oc1C
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| InChI |
InChI=1S/C22H27N5O3S2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-32(28,29)10-8-27)11-19(26-21)14-31-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
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| InChIKey |
DLJVHOHIVQJGAG-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