General Information of the Compound
| Compound ID |
CP0535385
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| Compound Name |
(S)-N-(1-isobutylpiperidin-4-yl)-1-(naphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C24H33N3O3S
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| Molecular Weight |
443.613
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| Canonical SMILES |
CC(C)CN1CCC(CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C24H33N3O3S/c1-18(2)17-26-14-11-21(12-15-26)25-24(28)23-8-5-13-27(23)31(29,30)22-10-9-19-6-3-4-7-20(19)16-22/h3-4,6-7,9-10,16,18,21,23H,5,8,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1
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| InChIKey |
AOWXTMWQPFORIG-QHCPKHFHSA-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