General Information of the Compound
| Compound ID |
CP0522708
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| Compound Name |
1-[(6S)-6-ethyl-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C17H20N4O2S
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| Molecular Weight |
344.44
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| Canonical SMILES |
CCCSc1nnc-2c(O[C@@H](CC)N(C(C)=O)c3ccccc-23)n1
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| InChI |
InChI=1S/C17H20N4O2S/c1-4-10-24-17-18-16-15(19-20-17)12-8-6-7-9-13(12)21(11(3)22)14(5-2)23-16/h6-9,14H,4-5,10H2,1-3H3/t14-/m0/s1
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| InChIKey |
DBHDXCQPYAWCQQ-AWEZNQCLSA-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