General Information of the Compound
| Compound ID |
CP0556228
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| Compound Name |
(1R)-9-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
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| Structure |
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| Formula |
C25H29FN4O2
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| Molecular Weight |
436.531
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| Canonical SMILES |
CCN1CC[C@H]([C@@H](C)C1)c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F
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| InChI |
InChI=1S/C25H29FN4O2/c1-4-29-10-9-17(15(2)13-29)19-11-22-23(12-20(19)18-7-5-6-8-21(18)26)32-14-24-27-28-25(31)16(3)30(22)24/h5-8,11-12,15-17H,4,9-10,13-14H2,1-3H3,(H,28,31)/t15-,16+,17+/m0/s1
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| InChIKey |
OGGKBOYSHGWOSI-GVDBMIGSSA-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