General Information of the Compound
| Compound ID |
CP0178244
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| Compound Name |
1-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3-(2,2,2-trifluoroethyl)urea
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| Structure |
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| Formula |
C27H26F4N4O
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| Molecular Weight |
498.524
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| Canonical SMILES |
CC(C)(CNC(=O)NCC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H26F4N4O/c1-26(2,16-32-25(36)33-17-27(29,30)31)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)15-34-35(23)22-11-9-21(28)10-12-22/h3-15,24H,16-17H2,1-2H3,(H2,32,33,36)/t24-/m0/s1
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| InChIKey |
SVUARSPDJVTMAQ-DEOSSOPVSA-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