General Information of the Compound
| Compound ID |
CP0512009
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| Compound Name |
US9199981, F78
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
CCC1CC(C1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1
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| InChI |
InChI=1S/C23H23N5O2/c1-3-15-10-17(11-15)23-26-21(27-30-23)16-8-7-14(2)18(12-16)25-22(29)19-13-24-20-6-4-5-9-28(19)20/h4-9,12-13,15,17H,3,10-11H2,1-2H3,(H,25,29)
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| InChIKey |
YGXKCHDRBDRTQD-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