General Information of the Compound
| Compound ID |
CP0526552
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| Compound Name |
US9266869, 4
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| Structure |
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| Formula |
C24H22N4O4S
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| Molecular Weight |
462.531
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S1(=O)CCCC1
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| InChI |
InChI=1S/C24H22N4O4S/c1-16-9-10-32-21(16)24(30)27-20-6-4-5-17(13-20)7-8-18-14-19(15-26-22(18)25)23(29)28-33(31)11-2-3-12-33/h4-6,9-10,13-15H,2-3,11-12H2,1H3,(H2,25,26)(H,27,30)
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| InChIKey |
BQNQMLPWBQGGJJ-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