General Information of the Compound
| Compound ID |
CP0521656
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| Compound Name |
6-chloro-4-((5-(5-chloropyridin-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl)methyl)-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C19H16Cl2N6O4
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| Molecular Weight |
463.281
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| Canonical SMILES |
CCCn1c(CN2C(=O)COc3c2cc(Cl)cc3[N+]([O-])=O)nnc1-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C19H16Cl2N6O4/c1-2-5-25-16(23-24-19(25)13-4-3-11(20)8-22-13)9-26-14-6-12(21)7-15(27(29)30)18(14)31-10-17(26)28/h3-4,6-8H,2,5,9-10H2,1H3
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| InChIKey |
AAMMMTHCBLGALB-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