General Information of the Compound
| Compound ID |
CP0438199
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| Compound Name |
6,8-dichloro-4-((5-(2-methylthiazol-4-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 |
C18H14Cl2F3N5O2S
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| Molecular Weight |
492.31
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| Canonical SMILES |
Cc1nc(cs1)-c1nnc(CN2C(=O)COc3c(Cl)cc(Cl)cc23)n1CCC(F)(F)F
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| InChI |
InChI=1S/C18H14Cl2F3N5O2S/c1-9-24-12(8-31-9)17-26-25-14(27(17)3-2-18(21,22)23)6-28-13-5-10(19)4-11(20)16(13)30-7-15(28)29/h4-5,8H,2-3,6-7H2,1H3
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| InChIKey |
BCLVNWONOUTPTI-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