General Information of the Compound
| Compound ID |
CP0557221
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| Compound Name |
US9266876, 88
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| Structure |
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| Formula |
C26H28N8OS
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| Molecular Weight |
500.632
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| Canonical SMILES |
CC(C)c1ccc2nc([nH]c2c1)-c1ncsc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
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| InChI |
InChI=1S/C26H28N8OS/c1-16(2)18-6-7-19-21(11-18)31-24(30-19)23-26(36-15-29-23)32-9-10-34(17(3)12-32)22(35)13-33-14-28-20-5-4-8-27-25(20)33/h4-8,11,14-17H,9-10,12-13H2,1-3H3,(H,30,31)/t17-/m1/s1
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| InChIKey |
YAEINEHECLJPQS-QGZVFWFLSA-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