General Information of the Compound
| Compound ID |
CP0426294
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| Compound Name |
US9199981, F21
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| Structure |
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| Formula |
C25H26N6O4
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| Molecular Weight |
474.521
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1(CC1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H26N6O4/c1-15-8-9-16(13-17(15)27-21(32)18-14-26-19-7-5-6-12-31(18)19)20-28-22(35-30-20)25(10-11-25)29-23(33)34-24(2,3)4/h5-9,12-14H,10-11H2,1-4H3,(H,27,32)(H,29,33)
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| InChIKey |
NSRLVENBQNMIER-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