General Information of the Compound
| Compound ID |
CP0445354
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| Compound Name |
(S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C29H34ClN3O3S
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| Molecular Weight |
540.129
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| Canonical SMILES |
CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
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| InChI |
InChI=1S/C29H34ClN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1
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| InChIKey |
UAEXYYDYQUVRCK-NDEPHWFRSA-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