General Information of the Compound
| Compound ID |
CP0774469
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| Compound Name |
17-(2-Hydroxyimino-propyl)-10,13-dimethyl-1,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,6-dione
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| Structure |
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| Formula |
C22H31NO3
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| Molecular Weight |
357.494
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| Canonical SMILES |
C/C(CC1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)=N\O
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| InChI |
InChI=1S/C22H31NO3/c1-13(23-26)10-14-4-5-17-16-12-20(25)19-11-15(24)6-8-22(19,3)18(16)7-9-21(14,17)2/h11,14,16-18,26H,4-10,12H2,1-3H3/b23-13+
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| InChIKey |
FEMIUPGALVTKAK-YDZHTSKRSA-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: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Protein ID: PT01489, 3-oxo-5-alpha-steroid 4-dehydrogenase 2