General Information of the Compound
| Compound ID |
CP0481244
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| Compound Name |
1-[(6S)-3-prop-2-enylsulfanyl-6-(2,3,4-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
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| Structure |
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| Formula |
C24H24N4O5S
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| Molecular Weight |
480.546
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| Canonical SMILES |
COc1ccc([C@@H]2Oc3nc(SCC=C)nnc3-c3ccccc3N2C(C)=O)c(OC)c1OC
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| InChI |
InChI=1S/C24H24N4O5S/c1-6-13-34-24-25-22-19(26-27-24)15-9-7-8-10-17(15)28(14(2)29)23(33-22)16-11-12-18(30-3)21(32-5)20(16)31-4/h6-12,23H,1,13H2,2-5H3/t23-/m0/s1
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| InChIKey |
BVTUZVOETISKDV-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