General Information of the Compound
| Compound ID |
CP0955047
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| Compound Name |
[(3R,10R,13S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-(17E)-ylidene]-acetaldehyde oxime
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| Structure |
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| Formula |
C21H31NO2
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| Molecular Weight |
329.484
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| Canonical SMILES |
C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=C\C=N\O)CC[C@@H]12
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| InChI |
InChI=1S/C21H31NO2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22-24)5-3-15-13-16(23)7-10-21(15,19)2/h3,9,12,16-19,23-24H,4-8,10-11,13H2,1-2H3/b14-9-,22-12+/t16-,17+,18+,19+,20-,21+/m1/s1
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| InChIKey |
PISNLBSRVGDYRY-UDALDTANSA-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