General Information of the Compound
| Compound ID |
CP0528107
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| Compound Name |
(S)-N-(1-benzylpiperidin-4-yl)-1-(benzylsulfonyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C24H31N3O3S
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| Molecular Weight |
441.597
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C24H31N3O3S/c28-24(25-22-13-16-26(17-14-22)18-20-8-3-1-4-9-20)23-12-7-15-27(23)31(29,30)19-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2,(H,25,28)/t23-/m0/s1
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| InChIKey |
KYEOZLCVRPZPOT-QHCPKHFHSA-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