General Information of the Compound
| Compound ID |
CP0534386
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| Compound Name |
(1R)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(4-fluorophenyl)ethanol
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| Formula |
C27H29FN2O2
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| Molecular Weight |
432.539
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2C[C@]3(C)[C@H](CCCC3=Cc12)[C@@](C)(O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H29FN2O2/c1-26-16-18-17-29-30(22-11-13-23(32-3)14-12-22)24(18)15-20(26)5-4-6-25(26)27(2,31)19-7-9-21(28)10-8-19/h7-15,17,25,31H,4-6,16H2,1-3H3/t25-,26-,27-/m0/s1
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| InChIKey |
JNJPJQZFHPSIOW-QKDODKLFSA-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