General Information of the Compound
| Compound ID |
CP0379435
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| Compound Name |
[4-[(6S)-7-acetyl-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-bromo-6-methoxyphenyl] acetate
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| Structure |
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| Formula |
C24H21BrN4O5S
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| Molecular Weight |
557.426
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| Canonical SMILES |
COc1cc(cc(Br)c1OC(C)=O)[C@@H]1Oc2nc(SCC=C)nnc2-c2ccccc2N1C(C)=O
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| InChI |
InChI=1S/C24H21BrN4O5S/c1-5-10-35-24-26-22-20(27-28-24)16-8-6-7-9-18(16)29(13(2)30)23(34-22)15-11-17(25)21(33-14(3)31)19(12-15)32-4/h5-9,11-12,23H,1,10H2,2-4H3/t23-/m0/s1
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| InChIKey |
XPJVXHYKLVIERN-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