General Information of the Compound
| Compound ID |
CP0572778
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| Compound Name |
9-(azepan-4-ylamino)-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 |
C16H21N5O2
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| Molecular Weight |
315.377
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| Canonical SMILES |
O=C1CN2C(COc3ccc(NC4CCCNCC4)cc23)=NN1
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| InChI |
InChI=1S/C16H21N5O2/c22-16-9-21-13-8-12(18-11-2-1-6-17-7-5-11)3-4-14(13)23-10-15(21)19-20-16/h3-4,8,11,17-18H,1-2,5-7,9-10H2,(H,20,22)
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| InChIKey |
OMQCNSKZLNYXPN-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