General Information of the Compound
| Compound ID |
CP0526359
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| Compound Name |
1-[(6S)-6-(4-ethoxy-3-methoxyphenyl)-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C24H24N4O4S
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| Molecular Weight |
464.547
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| Canonical SMILES |
CCOc1ccc(cc1OC)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O
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| InChI |
InChI=1S/C24H24N4O4S/c1-5-13-33-24-25-22-21(26-27-24)17-9-7-8-10-18(17)28(15(3)29)23(32-22)16-11-12-19(31-6-2)20(14-16)30-4/h5,7-12,14,23H,1,6,13H2,2-4H3/t23-/m0/s1
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| InChIKey |
TXDHEZSMGNAMFC-QHCPKHFHSA-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