General Information of the Compound
| Compound ID |
CP0322718
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| Compound Name |
US9266869, 39
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| Structure |
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| Formula |
C24H23N3O5S
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| Molecular Weight |
465.531
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S(C)(=O)CCCO
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| InChI |
InChI=1S/C24H23N3O5S/c1-17-9-11-32-22(17)24(30)26-21-6-3-5-18(14-21)7-8-19-13-20(16-25-15-19)23(29)27-33(2,31)12-4-10-28/h3,5-6,9,11,13-16,28H,4,10,12H2,1-2H3,(H,26,30)
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| InChIKey |
KBUOUGKAAPDJRZ-UHFFFAOYSA-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