General Information of the Compound
| Compound ID |
CP0429119
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| Compound Name |
US9200001, 5
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| Structure |
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| Formula |
C25H28N6O2
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| Molecular Weight |
444.539
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| Canonical SMILES |
COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc(C)cn3)nc(C)n2)cc1OC
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| InChI |
InChI=1S/C25H28N6O2/c1-16-6-8-20(26-15-16)9-10-21-14-25(28-17(2)27-21)31-24(29-18(3)30-31)13-19-7-11-22(32-4)23(12-19)33-5/h6-8,11-12,14-15H,9-10,13H2,1-5H3
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| InChIKey |
RDIPHPIPRPTLJE-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