General Information of the Compound
| Compound ID |
CP0861180
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| Compound Name |
7-{4-[15-hydroxy-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-ylmethyl]benzyl}-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-15-ol;octahydrobromide
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| Structure |
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| Formula |
C34H51BrN8O2
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| Molecular Weight |
683.74
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| Canonical SMILES |
Br.Oc1cc2nc(c1)CNCCCN(Cc1ccc(CN3CCCNCc4cc(O)cc(n4)CNCCC3)cc1)CCCNC2
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| InChI |
InChI=1S/C34H50N8O2.BrH/c43-33-17-29-21-35-9-1-13-41(14-2-10-36-22-30(18-33)39-29)25-27-5-7-28(8-6-27)26-42-15-3-11-37-23-31-19-34(44)20-32(40-31)24-38-12-4-16-42;/h5-8,17-20,35-38H,1-4,9-16,21-26H2,(H,39,43)(H,40,44);1H
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| InChIKey |
UWJYGJVVARZOQS-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