General Information of the Compound
| Compound ID |
CP0462810
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| Compound Name |
6,8-dichloro-4-((5-(2-methyl-2-phenylpropyl)-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 |
C24H23Cl2F3N4O2
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| Molecular Weight |
527.374
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| Canonical SMILES |
CC(C)(Cc1nnc(CN2C(=O)COc3c(Cl)cc(Cl)cc23)n1CCC(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C24H23Cl2F3N4O2/c1-23(2,15-6-4-3-5-7-15)12-19-30-31-20(32(19)9-8-24(27,28)29)13-33-18-11-16(25)10-17(26)22(18)35-14-21(33)34/h3-7,10-11H,8-9,12-14H2,1-2H3
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| InChIKey |
HDYAMFLHFYLCES-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