General Information of the Compound
| Compound ID |
CP0393648
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| Compound Name |
[(2S)-2-[(3S,5S,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] (E)-2-methylbut-2-enoate
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| Structure |
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| Formula |
C29H44O4
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| Molecular Weight |
456.667
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| Canonical SMILES |
C\C=C(/C)C(=O)OC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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| InChI |
InChI=1S/C29H44O4/c1-7-18(2)27(31)32-17-19(3)24-10-11-25-23-9-8-21-16-22(33-20(4)30)12-14-28(21,5)26(23)13-15-29(24,25)6/h7,9,19,21-22,24-26H,8,10-17H2,1-6H3/b18-7+/t19-,21+,22+,24-,25+,26+,28+,29-/m1/s1
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| InChIKey |
YRWUITHIBJCZEF-WLNCZYLDSA-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