General Information of the Compound
| Compound ID |
CP0066693
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| Compound Name |
(8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one
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| Synonyms |
17-Ethinyltestosterone
17-Hydroxypregn-4-en-20-yn-3-one
17.alpha.-Ethynyltestosterone
17.alpha.-Pregn-4-en-20-yn-3-one, 17-hydroxy-
Aethisteron
Anhydrohydroxyprogesterone
Anhydroxyprogesterone
Colutoid
ETHISTERONE
Ethinone
Ethinyltestosterone
Ethynyltestosterone
Gestoral
Lucorteum Oral
Lutidon Oral
NSC-9565
Nalutoral
Nugestoral
Ora-Lutin
Pregneninolone
Pregnin
Primolut C
Prodoxan
Prodroxan
Produxan
Progestab
Progestin P
Progestolets
Progestoral
Prolutol
Proluton C
Prone
Syngestrotabs
Testosterone, 17-ethynyl-
Trosinone
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| Structure |
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| Formula |
C21H28O2
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| Molecular Weight |
312.453
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
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| InChI |
InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
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| InChIKey |
CHNXZKVNWQUJIB-CEGNMAFCSA-N
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| CAS |
434-03-7
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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: PT06109, Geminin
Protein ID: PT00967, Glucocorticoid receptor
Clinical Information about the Compound