General Information of the Compound
| Compound ID |
CP0507163
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| Compound Name |
US8680275, 15
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
COc1cccc(CO)c1C(=O)N1CCC2CN(C2C1)c1nccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H26N4O3/c1-32-22-9-5-8-19(16-30)23(22)24(31)28-13-11-18-14-29(21(18)15-28)25-26-12-10-20(27-25)17-6-3-2-4-7-17/h2-10,12,18,21,30H,11,13-16H2,1H3
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| InChIKey |
IQJHFJJBRFMCMC-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