General Information of the Compound
| Compound ID |
CP0559640
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| Compound Name |
US9200001, 29
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| Structure |
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| Formula |
C23H25N7O2S
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| Molecular Weight |
463.567
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| Canonical SMILES |
COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2nnc(C)s2)cc1OC
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| InChI |
InChI=1S/C23H25N7O2S/c1-12-24-18(16-10-17(16)23-28-27-14(3)33-23)11-22(25-12)30-21(26-13(2)29-30)9-15-6-7-19(31-4)20(8-15)32-5/h6-8,11,16-17H,9-10H2,1-5H3
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| InChIKey |
XCGYNZNKUZYWCY-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