General Information of the Compound
| Compound ID |
CP0541468
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| Compound Name |
4-[(3R,4S)-3-benzyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-methylimidazole
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| Structure |
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| Formula |
C21H23N3O2S
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| Molecular Weight |
381.501
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](Cc2ccccc2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C21H23N3O2S/c1-23-15-21(22-16-23)27(25,26)24-13-19(12-17-8-4-2-5-9-17)20(14-24)18-10-6-3-7-11-18/h2-11,15-16,19-20H,12-14H2,1H3/t19-,20+/m0/s1
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| InChIKey |
WMWNSKBSYIEDPL-VQTJNVASSA-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