General Information of the Compound
| Compound ID |
CP0504408
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| Compound Name |
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C25H26FN3O3S
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| Molecular Weight |
467.566
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| Canonical SMILES |
C[C@@H](COc1ccc2n(ncc2c1)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C25H26FN3O3S/c1-16-11-17(2)25(18(3)12-16)33(30,31)28-19(4)15-32-23-9-10-24-20(13-23)14-27-29(24)22-7-5-21(26)6-8-22/h5-14,19,28H,15H2,1-4H3/t19-/m0/s1
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| InChIKey |
LREULHCSPAWXMB-IBGZPJMESA-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