General Information of the Compound
| Compound ID |
CP0535873
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| Compound Name |
US8772304, 20
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| Structure |
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| Formula |
C22H21N9
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| Molecular Weight |
411.473
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1cccnc1-n1cncn1
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| InChI |
InChI=1S/C22H21N9/c1-22(2,3)31-18-7-6-14(15-10-26-21(23)27-11-15)9-17(18)29-20(31)16-5-4-8-25-19(16)30-13-24-12-28-30/h4-13H,1-3H3,(H2,23,26,27)
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| InChIKey |
WFQDAKDMJXMEML-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