General Information of the Compound
| Compound ID |
CP0405909
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| Compound Name |
1-[(6R)-3-ethylsulfanyl-6-pyridin-3-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C19H17N5O2S
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| Molecular Weight |
379.445
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| Canonical SMILES |
CCSc1nnc-2c(O[C@@H](N(C(C)=O)c3ccccc-23)c2cccnc2)n1
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| InChI |
InChI=1S/C19H17N5O2S/c1-3-27-19-21-17-16(22-23-19)14-8-4-5-9-15(14)24(12(2)25)18(26-17)13-7-6-10-20-11-13/h4-11,18H,3H2,1-2H3/t18-/m1/s1
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| InChIKey |
KLDLGZNELWNYHL-GOSISDBHSA-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