General Information of the Compound
| Compound ID |
CP0493164
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| Compound Name |
US9266876, 99
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| Structure |
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| Formula |
C25H26N8OS
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| Molecular Weight |
486.605
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| Canonical SMILES |
CCc1ccc2nc([nH]c2c1)-c1ncsc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
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| InChI |
InChI=1S/C25H26N8OS/c1-3-17-6-7-18-20(11-17)30-23(29-18)22-25(35-15-28-22)31-9-10-33(16(2)12-31)21(34)13-32-14-27-19-5-4-8-26-24(19)32/h4-8,11,14-16H,3,9-10,12-13H2,1-2H3,(H,29,30)/t16-/m1/s1
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| InChIKey |
TZXSPFRSJKKIHO-MRXNPFEDSA-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