General Information of the Compound
| Compound ID |
CP0313988
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| Compound Name |
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]cyclopropanesulfonamide
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| Structure |
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| Formula |
C27H28FN3O2S
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| Molecular Weight |
477.605
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| Canonical SMILES |
CC(C)(CNS(=O)(=O)C1CC1)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H28FN3O2S/c1-27(2,18-30-34(32,33)24-13-14-24)26(19-6-4-3-5-7-19)20-8-15-25-21(16-20)17-29-31(25)23-11-9-22(28)10-12-23/h3-12,15-17,24,26,30H,13-14,18H2,1-2H3/t26-/m0/s1
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| InChIKey |
TYDDSABKYBFQNP-SANMLTNESA-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
Protein ID: PT00967, Glucocorticoid receptor