General Information of the Compound
| Compound ID |
CP0377970
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| Compound Name |
(8R,9S,13S,14S)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carbonitrile
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| Structure |
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| Formula |
C19H21NO2
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| Molecular Weight |
295.382
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(C#N)C2=O
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| InChI |
InChI=1S/C19H21NO2/c1-19-7-6-15-14-5-3-13(21)8-11(14)2-4-16(15)17(19)9-12(10-20)18(19)22/h3,5,8,12,15-17,21H,2,4,6-7,9H2,1H3/t12?,15-,16-,17+,19+/m1/s1
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| InChIKey |
JAXVIQXWTUSFHR-AURSYFNPSA-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