General Information of the Compound
| Compound ID |
CP0535383
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| Compound Name |
(S)-N-(1-benzylpiperidin-4-yl)-1-(naphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H31N3O3S
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| Molecular Weight |
477.63
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H31N3O3S/c31-27(28-24-14-17-29(18-15-24)20-21-7-2-1-3-8-21)26-11-6-16-30(26)34(32,33)25-13-12-22-9-4-5-10-23(22)19-25/h1-5,7-10,12-13,19,24,26H,6,11,14-18,20H2,(H,28,31)/t26-/m0/s1
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| InChIKey |
QJOHVBLHDNNUNC-SANMLTNESA-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