General Information of the Compound
| Compound ID |
CP0458011
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| Compound Name |
(S)-N-(1-benzylpiperidin-4-yl)-1-(4-isopropylphenylsulfonyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C26H35N3O3S
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| Molecular Weight |
469.651
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H35N3O3S/c1-20(2)22-10-12-24(13-11-22)33(31,32)29-16-6-9-25(29)26(30)27-23-14-17-28(18-15-23)19-21-7-4-3-5-8-21/h3-5,7-8,10-13,20,23,25H,6,9,14-19H2,1-2H3,(H,27,30)/t25-/m0/s1
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| InChIKey |
WMTXYZYNWQVETD-VWLOTQADSA-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