General Information of the Compound
| Compound ID |
CP0395797
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| Compound Name |
1-tert-butyl-3-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
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| Structure |
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| Formula |
C27H37FN4O
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| Molecular Weight |
452.618
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| Canonical SMILES |
CC(C)C[C@@H](c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)CNC(=O)NC(C)(C)C
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| InChI |
InChI=1S/C27H37FN4O/c1-18(2)14-23(27(6,7)17-29-25(33)31-26(3,4)5)19-8-13-24-20(15-19)16-30-32(24)22-11-9-21(28)10-12-22/h8-13,15-16,18,23H,14,17H2,1-7H3,(H2,29,31,33)/t23-/m0/s1
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| InChIKey |
USDRMZNMCWLDGV-QHCPKHFHSA-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