General Information of the Compound
| Compound ID |
CP0376002
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| Compound Name |
1-[(6S)-6-(4-prop-2-enoxyphenyl)-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 |
C24H22N4O3S
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| Molecular Weight |
446.532
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| Canonical SMILES |
CC(=O)N1[C@@H](Oc2nc(SCC=C)nnc2-c2ccccc12)c1ccc(OCC=C)cc1
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| InChI |
InChI=1S/C24H22N4O3S/c1-4-14-30-18-12-10-17(11-13-18)23-28(16(3)29)20-9-7-6-8-19(20)21-22(31-23)25-24(27-26-21)32-15-5-2/h4-13,23H,1-2,14-15H2,3H3/t23-/m0/s1
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| InChIKey |
OJGLRRIKFYVXFC-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