General Information of the Compound
| Compound ID |
CP0879082
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| Compound Name |
5,8-dioxa-1,12-diazacyclotetradecanyl[4-(5,8-dioxa-1,12-diazacyclotetradecanylmethyl)phenyl]methane;tetra hydrochloride;2.5 hydrate
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| Structure |
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| Formula |
C28H51ClN4O4
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| Molecular Weight |
543.193
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| Canonical SMILES |
Cl.c1cc(CN2CCCOCCOCCCNCC2)ccc1CN1CCCOCCOCCCNCC1
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| InChI |
InChI=1S/C28H50N4O4.ClH/c1-9-29-11-15-31(13-3-19-35-23-21-33-17-1)25-27-5-7-28(8-6-27)26-32-14-4-20-36-24-22-34-18-2-10-30-12-16-32;/h5-8,29-30H,1-4,9-26H2;1H
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| InChIKey |
CZHPBFARUSNJCY-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