General Information of the Compound
| Compound ID |
CP0566050
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| Compound Name |
(R)-6,8-dimethyl-4-((4-propyl-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-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 |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
CCCn1c(CN2C(=O)COc3c(C)cc(C)cc23)nnc1[C@@H]1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H30N4O2/c1-4-11-29-23(15-30-22-13-17(2)12-18(3)25(22)32-16-24(30)31)27-28-26(29)21-10-9-19-7-5-6-8-20(19)14-21/h5-8,12-13,21H,4,9-11,14-16H2,1-3H3/t21-/m1/s1
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| InChIKey |
NLXNRWHEIIZDBZ-OAQYLSRUSA-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