General Information of the Compound
| Compound ID |
CP0492222
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| Compound Name |
1-[(6S)-6-(1-methylpyrrol-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C18H17N5O2S
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| Molecular Weight |
367.434
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| Canonical SMILES |
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2cccn2C)n1
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| InChI |
InChI=1S/C18H17N5O2S/c1-11(24)23-13-8-5-4-7-12(13)15-16(19-18(26-3)21-20-15)25-17(23)14-9-6-10-22(14)2/h4-10,17H,1-3H3/t17-/m0/s1
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| InChIKey |
ZYQFRLDJRFITRT-KRWDZBQOSA-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