General Information of the Compound
| Compound ID |
CP0844963
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| Compound Name |
1-{4-[(1,1-Dioxido-2-isothiazolidinyl)methyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
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| Structure |
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| Formula |
C18H20F3N3O2S
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| Molecular Weight |
399.438
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| Canonical SMILES |
O=S1(=O)CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
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| InChI |
InChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-4-1-2-5-16(15)24(22-17)14-8-6-13(7-9-14)12-23-10-3-11-27(23,25)26/h6-9H,1-5,10-12H2
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| InChIKey |
AMFXGPAZFUDXQW-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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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