General Information of the Compound
| Compound ID |
CP0534835
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| Compound Name |
Acetic acid (10R,13S,17S)-10,13,17-trimethyl-2-methylene-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester
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| Structure |
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| Formula |
C23H32O3
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| Molecular Weight |
356.506
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| Canonical SMILES |
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)C[C@]4(C)C3CC[C@]12C
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| InChI |
InChI=1S/C23H32O3/c1-14-13-21(3)16(12-20(14)25)6-7-17-18(21)8-10-22(4)19(17)9-11-23(22,5)26-15(2)24/h12,17-19H,1,6-11,13H2,2-5H3/t17?,18?,19?,21-,22-,23-/m0/s1
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| InChIKey |
FBVIOYXUKJUFCN-SORVZPOVSA-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