General Information of the Compound
| Compound ID |
CP0198046
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| Compound Name |
CHEMBL1824237
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| Formula |
C26H42N2O
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| Molecular Weight |
398.635
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| Canonical SMILES |
CC1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C26H42N2O/c1-22-14-19-28(20-15-22)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29-21-5-18-27-16-3-2-4-17-27/h8-9,12-13,22-23,25H,2-7,10-11,14-21H2,1H3/t23-,25+
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| InChIKey |
JWSVZHPKZOJECJ-GUOBSTCESA-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