General Information of the Compound
| Compound ID |
CP0405913
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| Compound Name |
1-[(6S)-3-ethylsulfanyl-6-(5-methylthiophen-2-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 |
C19H18N4O2S2
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| Molecular Weight |
398.513
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| Canonical SMILES |
CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(C)s2)n1
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| InChI |
InChI=1S/C19H18N4O2S2/c1-4-26-19-20-17-16(21-22-19)13-7-5-6-8-14(13)23(12(3)24)18(25-17)15-10-9-11(2)27-15/h5-10,18H,4H2,1-3H3/t18-/m0/s1
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| InChIKey |
NRVKEIPDOWMYBT-SFHVURJKSA-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