General Information of the Compound
| Compound ID |
CP0526463
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| Compound Name |
(S)-1-(5-acetamidonaphthalen-2-ylsulfonyl)-N-methyl-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C31H38N4O4S
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| Molecular Weight |
562.736
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| Canonical SMILES |
CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(NC(C)=O)cccc2c1
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| InChI |
InChI=1S/C31H38N4O4S/c1-23(36)32-29-11-6-10-25-22-27(13-14-28(25)29)40(38,39)35-18-7-12-30(35)31(37)33(2)26-16-20-34(21-17-26)19-15-24-8-4-3-5-9-24/h3-6,8-11,13-14,22,26,30H,7,12,15-21H2,1-2H3,(H,32,36)/t30-/m0/s1
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| InChIKey |
QQHOEMVPGXMION-PMERELPUSA-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