General Information of the Compound
| Compound ID |
CP0198048
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| Compound Name |
CHEMBL1824239
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| Formula |
C25H41N3O
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| Molecular Weight |
399.623
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| Canonical SMILES |
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C25H41N3O/c1-26-17-19-28(20-18-26)24-10-6-22(7-11-24)23-8-12-25(13-9-23)29-21-5-16-27-14-3-2-4-15-27/h8-9,12-13,22,24H,2-7,10-11,14-21H2,1H3/t22-,24-
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| InChIKey |
CAGJHEKGANXSNK-HCGLCNNCSA-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