General Information of the Compound
| Compound ID |
CP0571376
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| Compound Name |
9-[(1,3-dimethylazetidin-3-yl)amino]-1-methyl-8-phenyl-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 |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
CC1N2C(COc3cc(c(NC4(C)CN(C)C4)cc23)-c2ccccc2)=NNC1=O
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| InChI |
InChI=1S/C22H25N5O2/c1-14-21(28)25-24-20-11-29-19-9-16(15-7-5-4-6-8-15)17(10-18(19)27(14)20)23-22(2)12-26(3)13-22/h4-10,14,23H,11-13H2,1-3H3,(H,25,28)
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| InChIKey |
GGOUEYZWZHNSOB-UHFFFAOYSA-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