General Information of the Compound
| Compound ID |
CP0436861
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| Compound Name |
(2S)-1-(4-fluorophenyl)sulfonyl-N-[[6-[6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]methyl]azetidine-2-carboxamide
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| Structure |
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| Formula |
C21H17F4N5O3S
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| Molecular Weight |
495.458
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F4N5O3S/c22-14-2-4-16(5-3-14)34(32,33)30-8-7-18(30)20(31)27-11-15-9-17(29-12-28-15)13-1-6-19(26-10-13)21(23,24)25/h1-6,9-10,12,18H,7-8,11H2,(H,27,31)/t18-/m0/s1
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| InChIKey |
ZPQGIOXLLCZONP-SFHVURJKSA-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