General Information of the Compound
| Compound ID |
CP0890584
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| Compound Name |
3,7,11,15,17-pentaazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-yl{4-[3,7,11,15,17-pentaazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-ylmethyl]phenyl}methane;heptahydrobromide;dacetic acid
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| Structure |
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| Formula |
C34H53BrN10O2
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| Molecular Weight |
713.77
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| Canonical SMILES |
Br.CC(=O)O.c1cc(CN2CCCNCc3cncc(n3)CNCCC2)ccc1CN1CCCNCc2cncc(n2)CNCCC1
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| InChI |
InChI=1S/C32H48N10.C2H4O2.BrH/c1-9-33-17-29-21-37-22-30(39-29)18-34-10-2-14-41(13-1)25-27-5-7-28(8-6-27)26-42-15-3-11-35-19-31-23-38-24-32(40-31)20-36-12-4-16-42;1-2(3)4;/h5-8,21-24,33-36H,1-4,9-20,25-26H2;1H3,(H,3,4);1H
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| InChIKey |
VECBKTWLLYTJDH-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