General Information of the Compound
| Compound ID |
CP0671644
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| Compound Name |
Ethylestrenol
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| Synonyms |
Ethylestrenol
Maxibolin
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| Structure |
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| Formula |
C20H32O
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| Molecular Weight |
288.475
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| Canonical SMILES |
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
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| InChI |
InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
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| InChIKey |
AOXRBFRFYPMWLR-XGXHKTLJSA-N
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| CAS |
965-90-2
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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: PT00820, Acetylcholinesterase
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00886, Estrogen receptor
Protein ID: PT06109, Geminin
Clinical Information about the Compound