General Information of the Compound
| Compound ID |
CP0212062
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| Compound Name |
tert-butyl (3S)-3-[4-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]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)N1CC[C@@H](C1)C(=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)34-14-11-19(18-34)25(35)33-15-12-20(13-16-33)32-43(39,40)24-17-22(9-10-23(24)28(29,30)31)42(37,38)21-7-5-4-6-8-21/h4-10,17,19-20,32H,11-16,18H2,1-3H3/t19-/m0/s1
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| InChIKey |
HOTXSNGAZNYULY-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