General Information of the Compound
| Compound ID |
CP0488864
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| Compound Name |
1-[(6S)-3-methylsulfanyl-6-thiophen-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one
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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 |
CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cccs1
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| InChI |
InChI=1S/C19H18N4O2S2/c1-3-7-15(24)23-13-9-5-4-8-12(13)16-17(20-19(26-2)22-21-16)25-18(23)14-10-6-11-27-14/h4-6,8-11,18H,3,7H2,1-2H3/t18-/m0/s1
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| InChIKey |
VJTATNOPIPTWQF-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