General Information of the Compound
| Compound ID |
CP0509158
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| Compound Name |
(1R)-9-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-8-(4-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 |
C24H27FN4O2
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| Molecular Weight |
422.504
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| Canonical SMILES |
C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-18(14)20-10-21-22(11-19(20)16-4-6-17(25)7-5-16)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-15,18H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,18+/m0/s1
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| InChIKey |
RKQCCJQGHCKJCV-HDMKZQKVSA-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