General Information of the Compound
| Compound ID |
CP0912044
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| Compound Name |
(10R,13S)-17-{1-[(Z)-Hydroxyimino]-ethyl}-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13-decahydro-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C21H27NO2
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| Molecular Weight |
325.452
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| Canonical SMILES |
C/C(=N/O)C1=CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C21H27NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6-7,12,16,19,24H,4-5,8-11H2,1-3H3/b22-13-/t16-,19-,20-,21+/m0/s1
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| InChIKey |
GCZNCFBHXOGSAA-BWMHIPIRSA-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