General Information of the Compound
| Compound ID |
CP0534626
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| Compound Name |
N-[(3S)-1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C26H27FN4O2S
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| Molecular Weight |
478.593
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| Canonical SMILES |
Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H]1CCN(C1)c1cccc2n(ncc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H27FN4O2S/c1-17-13-18(2)26(19(3)14-17)34(32,33)29-21-11-12-30(16-21)24-5-4-6-25-23(24)15-28-31(25)22-9-7-20(27)8-10-22/h4-10,13-15,21,29H,11-12,16H2,1-3H3/t21-/m0/s1
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| InChIKey |
IBUBMABURWRLBM-NRFANRHFSA-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