General Information of the Compound
| Compound ID |
CP0388677
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| Compound Name |
1-[(6S)-3-butylsulfanyl-6-(3-fluorophenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C22H21FN4O2S
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| Molecular Weight |
424.501
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| Canonical SMILES |
CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccc(F)c2)n1
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| InChI |
InChI=1S/C22H21FN4O2S/c1-3-4-12-30-22-24-20-19(25-26-22)17-10-5-6-11-18(17)27(14(2)28)21(29-20)15-8-7-9-16(23)13-15/h5-11,13,21H,3-4,12H2,1-2H3/t21-/m0/s1
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| InChIKey |
FLQULYDBYPTTSA-NRFANRHFSA-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