General Information of the Compound
| Compound ID |
CP0494443
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| Compound Name |
4-((5-(5-chloropyridin-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl)methyl)-6-methyl-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C20H19ClN6O4
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| Molecular Weight |
442.863
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| Canonical SMILES |
CCCn1c(CN2C(=O)COc3c2cc(C)cc3[N+]([O-])=O)nnc1-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C20H19ClN6O4/c1-3-6-25-17(23-24-20(25)14-5-4-13(21)9-22-14)10-26-15-7-12(2)8-16(27(29)30)19(15)31-11-18(26)28/h4-5,7-9H,3,6,10-11H2,1-2H3
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| InChIKey |
YFWBOSCQBMUXBB-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