General Information of the Compound
| Compound ID |
CP0895050
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| Compound Name |
1,5,8,11-tetraazacyclotetradecanyl[4-(1,5,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane;octahydrobromide;dihydrate
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| Structure |
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| Formula |
C28H55BrN8
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| Molecular Weight |
583.708
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| Canonical SMILES |
Br.c1cc(CN2CCCNCCNCCNCCC2)ccc1CN1CCCNCCNCCNCCC1
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| InChI |
InChI=1S/C28H54N8.BrH/c1-9-29-13-17-33-18-14-30-10-2-22-35(21-1)25-27-5-7-28(8-6-27)26-36-23-3-11-31-15-19-34-20-16-32-12-4-24-36;/h5-8,29-34H,1-4,9-26H2;1H
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| InChIKey |
GZDTZHMGSGXMAW-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