General Information of the Compound
| Compound ID |
CP0943584
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| Compound Name |
1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane octahydrochloride;dihydrate
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| Structure |
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| Formula |
C28H66Cl8N8O2
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| Molecular Weight |
830.514
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| Canonical SMILES |
Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.O.O.c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
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| InChI |
InChI=1S/C28H54N8.8ClH.2H2O/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H;2*1H2
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| InChIKey |
USMXIXZBRZZOQH-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