General Information of the Compound
| Compound ID |
CP0492344
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| Compound Name |
Acetic acid (10R,13S,17S)-10,13-dimethyl-3-oxo-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl ester
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| Structure |
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| Formula |
C21H26O3
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| Molecular Weight |
326.436
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| Canonical SMILES |
CC(=O)O[C@H]1CCC2C3C=CC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
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| InChI |
InChI=1S/C21H26O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,8,10,12,16-19H,6-7,9,11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
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| InChIKey |
SDLIPEORADMQOU-AYUYWISESA-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