General Information of the Compound
| Compound ID |
CP0865175
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| Compound Name |
cis-5-(4-bromophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C17H23BrN2O
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| Molecular Weight |
351.288
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| Canonical SMILES |
CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(Br)cc1
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| InChI |
InChI=1S/C17H23BrN2O/c1-19-16(13-5-7-15(18)8-6-13)11-14(17(19)21)12-20-9-3-2-4-10-20/h5-8,14,16H,2-4,9-12H2,1H3/t14-,16+/m1/s1
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| InChIKey |
YRXUATCBFOOCNO-ZBFHGGJFSA-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