General Information of the Compound
| Compound ID |
CP0426993
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| Compound Name |
(S)-ethyl 2-(1-(naphthalen-2-ylsulfonyl)-N-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxamido)acetate
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| Structure |
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| Formula |
C32H39N3O5S
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| Molecular Weight |
577.747
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| Canonical SMILES |
CCOC(=O)CN(C1CCN(CCc2ccccc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H39N3O5S/c1-2-40-31(36)24-34(28-17-21-33(22-18-28)20-16-25-9-4-3-5-10-25)32(37)30-13-8-19-35(30)41(38,39)29-15-14-26-11-6-7-12-27(26)23-29/h3-7,9-12,14-15,23,28,30H,2,8,13,16-22,24H2,1H3/t30-/m0/s1
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| InChIKey |
HOHQMOMDZBHGJH-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