General Information of the Compound
| Compound ID |
CP0116339
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| Compound Name |
5-(5-fluoro-2-methoxyphenyl)-2,2,5-trimethyl-3-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)hexan-3-ol
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| Structure |
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| Formula |
C24H31FN2O2
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| Molecular Weight |
398.522
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| Canonical SMILES |
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C
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| InChI |
InChI=1S/C24H31FN2O2/c1-22(2,3)24(28,13-18-11-16-14-26-10-9-20(16)27-18)15-23(4,5)19-12-17(25)7-8-21(19)29-6/h7-12,14,27-28H,13,15H2,1-6H3
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| InChIKey |
DCDROSDZJJENGM-UHFFFAOYSA-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