General Information of the Compound
| Compound ID |
CP0572777
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| Compound Name |
N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C15H17N5O3
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| Molecular Weight |
315.333
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| Canonical SMILES |
O=C(Nc1ccc2OCC3=NNC(=O)CN3c2c1)C1CCNC1
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| InChI |
InChI=1S/C15H17N5O3/c21-14-7-20-11-5-10(17-15(22)9-3-4-16-6-9)1-2-12(11)23-8-13(20)18-19-14/h1-2,5,9,16H,3-4,6-8H2,(H,17,22)(H,19,21)
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| InChIKey |
QEDYWIQHMHMSCN-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