General Information of the Compound
| Compound ID |
CP0388679
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| Compound Name |
1-[(6S)-3-prop-2-enylsulfanyl-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 |
C20H17N5O2S
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| Molecular Weight |
391.456
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| Canonical SMILES |
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1cccnc1
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| InChI |
InChI=1S/C20H17N5O2S/c1-3-11-28-20-22-18-17(23-24-20)15-8-4-5-9-16(15)25(13(2)26)19(27-18)14-7-6-10-21-12-14/h3-10,12,19H,1,11H2,2H3/t19-/m0/s1
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| InChIKey |
VGHHUCJSBOPGDJ-IBGZPJMESA-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