General Information of the Compound
| Compound ID |
CP0522869
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| Compound Name |
(S)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methyl-N-(1-(2-phenylacetyl)piperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C29H32ClN3O4S
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| Molecular Weight |
554.112
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| Canonical SMILES |
CN(C1CCN(CC1)C(=O)Cc1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
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| InChI |
InChI=1S/C29H32ClN3O4S/c1-31(23-14-17-32(18-15-23)28(34)19-21-7-3-2-4-8-21)29(35)27-11-6-16-33(27)38(36,37)24-12-13-25-22(20-24)9-5-10-26(25)30/h2-5,7-10,12-13,20,23,27H,6,11,14-19H2,1H3/t27-/m0/s1
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| InChIKey |
MOEMZWLCMLBIEB-MHZLTWQESA-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