General Information of the Compound
| Compound ID |
CP0554832
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| Compound Name |
US8952150, 70
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| Structure |
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| Formula |
C35H37N9O5
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| Molecular Weight |
663.739
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| Canonical SMILES |
Oc1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(cc3)C(=O)NCc3ccccn3)n2)cc1
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| InChI |
InChI=1S/C35H37N9O5/c45-30-15-13-28(14-16-30)41-35-43-33(38-19-21-49-23-22-48-20-18-37-31(46)25-6-2-1-3-7-25)42-34(44-35)40-27-11-9-26(10-12-27)32(47)39-24-29-8-4-5-17-36-29/h1-17,45H,18-24H2,(H,37,46)(H,39,47)(H3,38,40,41,42,43,44)
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| InChIKey |
VRENUYGIHKAIMO-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