General Information of the Compound
| Compound ID |
CP0198695
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| Compound Name |
(S)-tert-butyl 2-(4-(5-(phenylsulfonyl)-2-(trifluoromethyl)phenylsulfonamido)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C28H34F3N3O7S2
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| Molecular Weight |
645.722
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C28H34F3N3O7S2/c1-27(2,3)41-26(36)34-15-7-10-23(34)25(35)33-16-13-19(14-17-33)32-43(39,40)24-18-21(11-12-22(24)28(29,30)31)42(37,38)20-8-5-4-6-9-20/h4-6,8-9,11-12,18-19,23,32H,7,10,13-17H2,1-3H3/t23-/m0/s1
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| InChIKey |
FCXCNDHEICKHMB-QHCPKHFHSA-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