General Information of the Compound
| Compound ID |
CP0912152
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| Compound Name |
ethyl 3-((8S,9S,10R,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-ylamino)-2-(hydroxyimino)propanoate
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| Structure |
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| Formula |
C26H38N2O5
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| Molecular Weight |
458.599
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| Canonical SMILES |
CCOC(=O)/C(CN[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21)=N\O
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| InChI |
InChI=1S/C26H38N2O5/c1-5-33-24(31)22(28-32)14-27-21-13-26(4)19(15(2)29)8-9-20(26)18-7-6-16-12-17(30)10-11-25(16,3)23(18)21/h12,18-21,23,27,32H,5-11,13-14H2,1-4H3/b28-22-/t18-,19+,20-,21-,23+,25-,26+/m0/s1
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| InChIKey |
FBPRINXJBVCWRI-SVMSQMNBSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2