General Information of the Compound
| Compound ID |
CP0551145
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| Compound Name |
US8952150, 59
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| Structure |
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| Formula |
C26H27N7O3
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| Molecular Weight |
485.548
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCNC(=O)c3ccccc3)nc(Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C26H27N7O3/c34-22-13-11-21(12-14-22)30-26-32-24(31-25(33-26)29-20-9-5-2-6-10-20)28-16-18-36-17-15-27-23(35)19-7-3-1-4-8-19/h1-14,34H,15-18H2,(H,27,35)(H3,28,29,30,31,32,33)
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| InChIKey |
UDHOZACRAHXIGQ-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