General Information of the Compound
| Compound ID |
CP0194124
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| Compound Name |
6-[(3S,4S)-4-(4-hydroxyphenyl)hexan-3-yl]pyridin-3-ol
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| Structure |
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| Formula |
C17H21NO2
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| Molecular Weight |
271.36
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| Canonical SMILES |
CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1
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| InChI |
InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16+/m1/s1
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| InChIKey |
ARZNLQCBMDYYDU-CVEARBPZSA-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