General Information of the Compound
| Compound ID |
CP0486628
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| Compound Name |
4-((5-(benzyloxymethyl)-4-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-3-yl)methyl)-6,8-dichloro-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C22H19Cl2F3N4O3
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| Molecular Weight |
515.319
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| Canonical SMILES |
FC(F)(F)CCn1c(COCc2ccccc2)nnc1CN1C(=O)COc2c(Cl)cc(Cl)cc12
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| InChI |
InChI=1S/C22H19Cl2F3N4O3/c23-15-8-16(24)21-17(9-15)31(20(32)13-34-21)10-18-28-29-19(30(18)7-6-22(25,26)27)12-33-11-14-4-2-1-3-5-14/h1-5,8-9H,6-7,10-13H2
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| InChIKey |
TZWCPNRUHBEDRL-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