General Information of the Compound
| Compound ID |
CP0510037
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| Compound Name |
(S)-N-(1-benzylpiperidin-4-yl)-1-(isopropylsulfonyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C20H31N3O3S
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| Molecular Weight |
393.553
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| Canonical SMILES |
CC(C)S(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C20H31N3O3S/c1-16(2)27(25,26)23-12-6-9-19(23)20(24)21-18-10-13-22(14-11-18)15-17-7-4-3-5-8-17/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3,(H,21,24)/t19-/m0/s1
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| InChIKey |
JVABCBTXPXXYMT-IBGZPJMESA-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