General Information of the Compound
| Compound ID |
CP0566785
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| Compound Name |
(1R)-8-(2-fluorophenyl)-1-methyl-9-[(4R)-1,3,3-trimethylpiperidin-4-yl]-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 |
C[C@H]1N2C(COc3cc(c(cc23)[C@H]2CCN(C)CC2(C)C)-c2ccccc2F)=NNC1=O
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| InChI |
InChI=1S/C25H29FN4O2/c1-15-24(31)28-27-23-13-32-22-12-17(16-7-5-6-8-20(16)26)18(11-21(22)30(15)23)19-9-10-29(4)14-25(19,2)3/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3,(H,28,31)/t15-,19-/m1/s1
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| InChIKey |
HNVZPQXLOSBJMQ-DNVCBOLYSA-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