General Information of the Compound
| Compound ID |
CP0446132
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| Compound Name |
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pentane-1-sulfonamide
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| Structure |
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| Formula |
C27H30FN3O3S
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| Molecular Weight |
495.62
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| Canonical SMILES |
CCCCCS(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H30FN3O3S/c1-3-4-8-17-35(32,33)30-20(2)27(21-9-6-5-7-10-21)34-25-15-16-26-22(18-25)19-29-31(26)24-13-11-23(28)12-14-24/h5-7,9-16,18-20,27,30H,3-4,8,17H2,1-2H3/t20-,27-/m0/s1
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| InChIKey |
JSDQGKGCJDOTRD-DCFHFQCYSA-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