General Information of the Compound
| Compound ID |
CP0506181
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| Compound Name |
1-[(6S)-3-butylsulfanyl-6-thiophen-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 |
C20H20N4O2S2
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| Molecular Weight |
412.54
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| Canonical SMILES |
CCCCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccsc2)n1
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| InChI |
InChI=1S/C20H20N4O2S2/c1-3-4-10-28-20-21-18-17(22-23-20)15-7-5-6-8-16(15)24(13(2)25)19(26-18)14-9-11-27-12-14/h5-9,11-12,19H,3-4,10H2,1-2H3/t19-/m0/s1
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| InChIKey |
ZJXHYQHTAACYPO-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