General Information of the Compound
| Compound ID |
CP0379271
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| Compound Name |
9-(azetidin-3-ylamino)-1-methyl-8-propan-2-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 |
C17H23N5O2
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| Molecular Weight |
329.404
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| Canonical SMILES |
CC(C)c1cc2OCC3=NNC(=O)C(C)N3c2cc1NC1CNC1
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| InChI |
InChI=1S/C17H23N5O2/c1-9(2)12-4-15-14(5-13(12)19-11-6-18-7-11)22-10(3)17(23)21-20-16(22)8-24-15/h4-5,9-11,18-19H,6-8H2,1-3H3,(H,21,23)
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| InChIKey |
DSRVSVZSWXAEBP-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
Protein ID: PT00858, Protein kinase C alpha type
Protein ID: PT01127, Protein kinase C theta type