General Information of the Compound
| Compound ID |
CP0253768
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| Compound Name |
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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| Synonyms |
CCG-204473
(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8700^{2,7}0^{11,15}]heptadec-7-en-5-yl sulfate
17-oxoandrost-5-en-3beta-yl sulfate
3-beta-Hydroxyandrost-5-en-17-one 3-sulfate
3-beta-hydroxyandrost-5-en-17-one 3-sulfate
3beta-hydroxyandrost-5-en-17-one 3-sulfate anion
3beta-hydroxyandrost-5-en-17-one 3-sulfate(1-)
3beta-sulfooxy-androst-5-en-17-one
CCG-204473
CHEBI:57905
GTPL4528
GTPL5577
[3H]DHEAS
[3H]dehydroepiandrosterone sulfate
[3H]dehydroepiandrosterone sulphate
dehydroepiandrosterone sulfate(1-)
dehydroepiandrosterone sulphate
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| Structure |
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| Formula |
C19H28O5S
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| Molecular Weight |
368.495
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
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| InChIKey |
CZWCKYRVOZZJNM-USOAJAOKSA-N
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| CAS |
1095-56-3
601-36-5
651-48-9
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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: PT06135, Solute carrier organic anion transporter family member 1A1
Protein ID: PT06163, Solute carrier organic anion transporter family member 1A3
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Protein ID: PT01689, Steryl-sulfatase
Clinical Information about the Compound
Drug 1 ( dehydroepiandrosterone sulphate )
| Drug Name | dehydroepiandrosterone sulphate | ||
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