General Information of the Compound
| Compound ID |
CP0191493
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| Compound Name |
1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)pyrrolidin-3-ol
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| Structure |
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| Formula |
C18H19BrClNO2
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| Molecular Weight |
396.712
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| Canonical SMILES |
OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C18H19BrClNO2/c19-15-3-6-18(23-12-13-1-4-16(20)5-2-13)14(9-15)10-21-8-7-17(22)11-21/h1-6,9,17,22H,7-8,10-12H2
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| InChIKey |
LIROUCJHJSDZPV-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