General Information of the Compound
| Compound ID |
CP0419139
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| Compound Name |
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](thiophen-3-yl)methanol
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| Structure |
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| Formula |
C23H23FN2OS
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| Molecular Weight |
394.515
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| Canonical SMILES |
C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccsc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H23FN2OS/c1-23-12-16-13-25-26(19-7-5-18(24)6-8-19)21(16)11-17(23)3-2-4-20(23)22(27)15-9-10-28-14-15/h5-11,13-14,20,22,27H,2-4,12H2,1H3/t20-,22+,23+/m1/s1
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| InChIKey |
CEGTZPFCUQUJQF-PUHATCMVSA-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
Protein ID: PT00870, Glucocorticoid receptor