General Information of the Compound
| Compound ID |
CP0492224
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| Compound Name |
1-[(6S)-6-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
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| Structure |
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| Formula |
C23H23BrN4O4S
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| Molecular Weight |
531.432
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| Canonical SMILES |
CCOc1cc(cc(Br)c1OC)[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC
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| InChI |
InChI=1S/C23H23BrN4O4S/c1-5-18(29)28-16-10-8-7-9-14(16)19-21(25-23(33-4)27-26-19)32-22(28)13-11-15(24)20(30-3)17(12-13)31-6-2/h7-12,22H,5-6H2,1-4H3/t22-/m0/s1
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| InChIKey |
MYRPSSBBDKYWQP-QFIPXVFZSA-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