General Information of the Compound
| Compound ID |
CP0376000
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| Compound Name |
1-[(6S)-6-(4-methylphenyl)-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 |
C20H18N4O2S
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| Molecular Weight |
378.457
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| Canonical SMILES |
CSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C20H18N4O2S/c1-12-8-10-14(11-9-12)19-24(13(2)25)16-7-5-4-6-15(16)17-18(26-19)21-20(27-3)23-22-17/h4-11,19H,1-3H3/t19-/m0/s1
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| InChIKey |
KFWYQGBFJOVYNF-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