General Information of the Compound
| Compound ID |
CP0034676
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| Compound Name |
(3beta,17beta)-androst-5-ene-3,17-diol
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| Synonyms |
(3-beta,17-beta)-Androst-5-ene-3,17-diol
(3beta,17beta)-androst-5-ene-3,17-diol
3beta,17beta-Dihydroxy-5-androstene
3beta,17beta-Dihydroxyandrost-5-ene
5-AED
5-Androstenediol
521-17-5
95PS51EMXY
ANDROST-5-ENE-3-beta,17-beta-DIOL
ANDROSTENEDIOL
Androst-5-ene-3beta,17beta-diol
Androst-5-enediol
Androst-5-enediol (VAN)
Androstenediol
Androstenediol [JAN]
CHEBI:2710
CHEMBL440283
EINECS 208-306-8
HE2100
Hermaphrodiol
NSC 12163
Neumune
UNII-95PS51EMXY
androst-5-en-3beta,17beta-diol
delta(sup
delta(sup 5)-Androstenediol
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| Structure |
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| Formula |
C19H30O2
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| Molecular Weight |
290.447
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
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| InChIKey |
QADHLRWLCPCEKT-LOVVWNRFSA-N
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| CAS |
521-17-5
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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
Clinical Information about the Compound