General Information of the Compound
| Compound ID |
CP0265627
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| Compound Name |
(S)-5-(phenylsulfonyl)-N-(1-(pyrrolidine-2-carbonyl)piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H26F3N3O5S2
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| Molecular Weight |
545.605
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H26F3N3O5S2/c24-23(25,26)19-9-8-18(35(31,32)17-5-2-1-3-6-17)15-21(19)36(33,34)28-16-10-13-29(14-11-16)22(30)20-7-4-12-27-20/h1-3,5-6,8-9,15-16,20,27-28H,4,7,10-14H2/t20-/m0/s1
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| InChIKey |
CUKVPVAQKUDUCX-FQEVSTJZSA-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
Protein ID: PT04857, Proto-oncogene Wnt-3
Protein ID: PT03604, Secreted frizzled-related protein 1