General Information of the Compound
| Compound ID |
CP0488971
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| Compound Name |
[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-4,4,8,10,14-pentamethyl-17-(5-methylhexanoyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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| Structure |
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| Formula |
C33H54O5
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| Molecular Weight |
530.79
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| Canonical SMILES |
CC(C)CCCC(=O)[C@H]1CC[C@]2(C)[C@@H]1[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C)OC(C)=O
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| InChI |
InChI=1S/C33H54O5/c1-20(2)11-10-12-24(36)23-13-17-33(9)29(23)25(37-21(3)34)19-27-31(7)16-15-28(38-22(4)35)30(5,6)26(31)14-18-32(27,33)8/h20,23,25-29H,10-19H2,1-9H3/t23-,25-,26+,27-,28+,29+,31+,32-,33-/m1/s1
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| InChIKey |
OYRLJVKHANZNFL-RHVDBGENSA-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