General Information of the Compound
| Compound ID |
CP0371971
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| Compound Name |
6,8-dichloro-4-((5-(pyridin-2-yl)-4-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-3-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C19H14Cl2F3N5O2
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| Molecular Weight |
472.254
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| Canonical SMILES |
FC(F)(F)CCn1c(CN2C(=O)COc3c(Cl)cc(Cl)cc23)nnc1-c1ccccn1
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| InChI |
InChI=1S/C19H14Cl2F3N5O2/c20-11-7-12(21)17-14(8-11)29(16(30)10-31-17)9-15-26-27-18(13-3-1-2-5-25-13)28(15)6-4-19(22,23)24/h1-3,5,7-8H,4,6,9-10H2
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| InChIKey |
GNELDGMRTGELTM-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