General Information of the Compound
| Compound ID |
CP0447689
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| Compound Name |
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide
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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 |
CCCS(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H26FN3O3S/c1-3-15-33(30,31)28-18(2)25(19-7-5-4-6-8-19)32-23-13-14-24-20(16-23)17-27-29(24)22-11-9-21(26)10-12-22/h4-14,16-18,25,28H,3,15H2,1-2H3/t18-,25-/m0/s1
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| InChIKey |
VWTPUVDVSMDQRO-BVZFJXPGSA-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