General Information of the Compound
| Compound ID |
CP0566049
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| Compound Name |
6,8-dimethyl-4-((5-((1R,2R)-2-phenylcyclopropyl)-4-propyl-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 |
C25H28N4O2
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| Molecular Weight |
416.525
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| Canonical SMILES |
CCCn1c(CN2C(=O)COc3c(C)cc(C)cc23)nnc1[C@@H]1C[C@H]1c1ccccc1
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| InChI |
InChI=1S/C25H28N4O2/c1-4-10-28-22(26-27-25(28)20-13-19(20)18-8-6-5-7-9-18)14-29-21-12-16(2)11-17(3)24(21)31-15-23(29)30/h5-9,11-12,19-20H,4,10,13-15H2,1-3H3/t19-,20+/m0/s1
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| InChIKey |
YYWJQGMKDLNXHG-VQTJNVASSA-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