General Information of the Compound
| Compound ID |
CP0522707
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| Compound Name |
1-[(6S)-3-butylsulfanyl-6-ethyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C18H22N4O2S
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| Molecular Weight |
358.467
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| Canonical SMILES |
CCCCSc1nnc-2c(O[C@@H](CC)N(C(C)=O)c3ccccc-23)n1
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| InChI |
InChI=1S/C18H22N4O2S/c1-4-6-11-25-18-19-17-16(20-21-18)13-9-7-8-10-14(13)22(12(3)23)15(5-2)24-17/h7-10,15H,4-6,11H2,1-3H3/t15-/m0/s1
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| InChIKey |
OGFRPOGIIKVCOT-HNNXBMFYSA-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