General Information of the Compound
| Compound ID |
CP0414690
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| Compound Name |
(1R)-9-[(1,3-dimethylazetidin-3-yl)-methylamino]-1-methyl-8-(trifluoromethyl)-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 |
C18H22F3N5O2
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| Molecular Weight |
397.401
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| Canonical SMILES |
C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CN(C)C2)C(F)(F)F)=NNC1=O
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| InChI |
InChI=1S/C18H22F3N5O2/c1-10-16(27)23-22-15-7-28-14-5-11(18(19,20)21)12(6-13(14)26(10)15)25(4)17(2)8-24(3)9-17/h5-6,10H,7-9H2,1-4H3,(H,23,27)/t10-/m1/s1
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| InChIKey |
LFKQXDRWWTVIRU-SNVBAGLBSA-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