General Information of the Compound
| Compound ID |
CP0179823
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| Compound Name |
US8575201, 151
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| Structure |
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| Formula |
C22H21N9O
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| Molecular Weight |
427.472
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| Canonical SMILES |
CC(C)(C#N)n1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C22H21N9O/c1-21(2,13-23)31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(24)27-9-14/h4-5,8-12H,3,6-7H2,1-2H3,(H2,24,26,27)
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| InChIKey |
CBZQTDDFYHAQDT-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