General Information of the Compound
| Compound ID |
CP0574963
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| Compound Name |
5-chloro-2-fluoro-4-[[(1R,6R)-2-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)cyclohex-2-en-1-yl]methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H21ClF5N5O5S2
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| Molecular Weight |
678.061
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| Canonical SMILES |
OC(=O)C(F)(F)F.Fc1ccc(cc1)C1=CCC[C@H]([C@@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)n1cnnc1
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| InChI |
InChI=1S/C24H20ClF2N5O3S2.C2HF3O2/c25-19-8-23(37(33,34)31-24-11-36-14-28-24)20(27)9-22(19)35-10-18-17(15-4-6-16(26)7-5-15)2-1-3-21(18)32-12-29-30-13-32;3-2(4,5)1(6)7/h2,4-9,11-14,18,21,31H,1,3,10H2;(H,6,7)/t18-,21-;/m1./s1
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| InChIKey |
OYWSCKKFTBKCQM-IUFJOMBNSA-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