General Information of the Compound
| Compound ID |
CP0153947
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| Compound Name |
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfanylphenyl)propan-2-yl]cyclopropanesulfonamide
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| Structure |
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| Formula |
C26H26FN3O3S2
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| Molecular Weight |
511.644
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| Canonical SMILES |
CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C26H26FN3O3S2/c1-17(29-35(31,32)24-12-13-24)26(18-3-10-23(34-2)11-4-18)33-22-9-14-25-19(15-22)16-28-30(25)21-7-5-20(27)6-8-21/h3-11,14-17,24,26,29H,12-13H2,1-2H3/t17-,26-/m0/s1
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| InChIKey |
NGLPZZZUWGVILU-QLXKLKPCSA-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