General Information of the Compound
| Compound ID |
CP0545672
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| Compound Name |
US8829200, 2
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| Structure |
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| Formula |
C25H26N6O
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| Molecular Weight |
426.524
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1ccccc1C(=O)NC1CC1
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| InChI |
InChI=1S/C25H26N6O/c1-25(2,3)31-21-11-8-15(16-13-27-24(26)28-14-16)12-20(21)30-22(31)18-6-4-5-7-19(18)23(32)29-17-9-10-17/h4-8,11-14,17H,9-10H2,1-3H3,(H,29,32)(H2,26,27,28)
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| InChIKey |
BRLYMJFQFIROKN-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