General Information of the Compound
| Compound ID |
CP0192375
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| Compound Name |
6-[(2R,3S)-2-(4-hydroxyphenyl)pentan-3-yl]pyridin-3-ol
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| Structure |
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| Formula |
C16H19NO2
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| Molecular Weight |
257.333
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| Canonical SMILES |
CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1
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| InChI |
InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1
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| InChIKey |
FJEBOUIPWLCERS-NHYWBVRUSA-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: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta