General Information of the Compound
| Compound ID |
CP0918275
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| Compound Name |
trans-rac-N-(-1-(2-chloro-4-(methylsulfonyl)benzoyl)-2-methylazetidin-3-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H22ClF3N2O5S2
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| Molecular Weight |
551.008
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| Canonical SMILES |
C[C@H]1[C@H](N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(S(C)(=O)=O)cc1Cl
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| InChI |
InChI=1S/C22H22ClF3N2O5S2/c1-13-20(12-27(13)21(29)18-9-8-16(11-19(18)23)34(2,30)31)28(15-6-7-15)35(32,33)17-5-3-4-14(10-17)22(24,25)26/h3-5,8-11,13,15,20H,6-7,12H2,1-2H3/t13-,20+/m0/s1
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| InChIKey |
MEZUPKJWYSDXDF-RNODOKPDSA-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