General Information of the Compound
| Compound ID |
CP0449354
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| Compound Name |
(1R)-9-[(1,3-dimethylazetidin-3-yl)-methylamino]-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 |
C23H26FN5O2
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| Molecular Weight |
423.492
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| Canonical SMILES |
C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CN(C)C2)-c2ccccc2F)=NNC1=O
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| InChI |
InChI=1S/C23H26FN5O2/c1-14-22(30)26-25-21-11-31-20-9-16(15-7-5-6-8-17(15)24)18(10-19(20)29(14)21)28(4)23(2)12-27(3)13-23/h5-10,14H,11-13H2,1-4H3,(H,26,30)/t14-/m1/s1
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| InChIKey |
IOPHLBCBVCDFRI-CQSZACIVSA-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