General Information of the Compound
| Compound ID |
CP0538266
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| Compound Name |
US9169260, 7
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
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| InChI |
InChI=1S/C22H23N7O/c1-15-3-5-17(6-4-15)29-20(13-19(27-29)16-7-10-23-11-8-16)26-22(30)18-14-25-28-12-2-9-24-21(18)28/h2-6,9,12-14,16,23H,7-8,10-11H2,1H3,(H,26,30)
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| InChIKey |
GMMFOZKVLINNJR-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