General Information of the Compound
| Compound ID |
CP0528112
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| Compound Name |
(S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-ethyl-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C30H36ClN3O3S
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| Molecular Weight |
554.156
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| Canonical SMILES |
CCN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
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| InChI |
InChI=1S/C30H36ClN3O3S/c1-2-33(25-16-20-32(21-17-25)19-15-23-8-4-3-5-9-23)30(35)29-12-7-18-34(29)38(36,37)26-13-14-27-24(22-26)10-6-11-28(27)31/h3-6,8-11,13-14,22,25,29H,2,7,12,15-21H2,1H3/t29-/m0/s1
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| InChIKey |
XNOFLDGSSUCALL-LJAQVGFWSA-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