General Information of the Compound
| Compound ID |
CP0510036
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| Compound Name |
(S)-N-(1-benzylpiperidin-4-yl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H29N3O3S
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| Molecular Weight |
427.57
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H29N3O3S/c27-23(22-12-7-15-26(22)30(28,29)21-10-5-2-6-11-21)24-20-13-16-25(17-14-20)18-19-8-3-1-4-9-19/h1-6,8-11,20,22H,7,12-18H2,(H,24,27)/t22-/m0/s1
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| InChIKey |
WORWCSHAOQJOBW-QFIPXVFZSA-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