General Information of the Compound
| Compound ID |
CP0250175
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| Compound Name |
US9266869, 24
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| Structure |
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| Formula |
C26H26N4O6S
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| Molecular Weight |
522.583
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(=O)CCCCC(O)=O
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| InChI |
InChI=1S/C26H26N4O6S/c1-17-11-12-36-23(17)26(34)29-21-7-5-6-18(14-21)9-10-19-15-20(16-28-24(19)27)25(33)30-37(2,35)13-4-3-8-22(31)32/h5-7,11-12,14-16H,3-4,8,13H2,1-2H3,(H2,27,28)(H,29,34)(H,31,32)
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| InChIKey |
HROSXZOMLGGWHP-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