General Information of the Compound
| Compound ID |
CP0532117
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| Compound Name |
1-[3-(4-fluorophenyl)sulfonyl-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
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| Structure |
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| Formula |
C30H27FN2O4S
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| Molecular Weight |
530.621
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)C1(CCN(C1)C(=O)Cc1ccncc1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C30H27FN2O4S/c31-26-8-12-28(13-9-26)38(35,36)30(16-19-33(22-30)29(34)20-23-14-17-32-18-15-23)25-6-10-27(11-7-25)37-21-24-4-2-1-3-5-24/h1-15,17-18H,16,19-22H2
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| InChIKey |
CCZPHFOXYDYFFV-UHFFFAOYSA-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