General Information of the Compound
| Compound ID |
CP0493167
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| Compound Name |
US9266876, 158
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| Structure |
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| Formula |
C25H26N8O3S
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| Molecular Weight |
518.603
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| Canonical SMILES |
COc1cc2nc([nH]c2cc1OC)-c1ncsc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
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| InChI |
InChI=1S/C25H26N8O3S/c1-15-11-31(7-8-33(15)21(34)12-32-13-27-16-5-4-6-26-24(16)32)25-22(28-14-37-25)23-29-17-9-19(35-2)20(36-3)10-18(17)30-23/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,29,30)/t15-/m1/s1
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| InChIKey |
XSALNAYQWZVULN-OAHLLOKOSA-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