General Information of the Compound
| Compound ID |
CP0181740
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| Compound Name |
5-(4-iodophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole
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| Structure |
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| Formula |
C17H12F3IN2O2S
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| Molecular Weight |
492.26
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(I)cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H12F3IN2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,1H3
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| InChIKey |
NIUAGEVCVWHMTA-UHFFFAOYSA-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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