General Information of the Compound
| Compound ID |
CP0423681
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| Compound Name |
(2R)-1-(5-chloro-2-fluorophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C22H21ClFN3O4S2
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| Molecular Weight |
510.012
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2F)n1
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| InChI |
InChI=1S/C22H21ClFN3O4S2/c1-31-16-8-5-14(6-9-16)18-13-32-22(25-18)26-21(28)19-4-2-3-11-27(19)33(29,30)20-12-15(23)7-10-17(20)24/h5-10,12-13,19H,2-4,11H2,1H3,(H,25,26,28)/t19-/m1/s1
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| InChIKey |
KTRRTYCMMYVRAA-LJQANCHMSA-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