General Information of the Compound
| Compound ID |
CP0062173
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| Compound Name |
17alpha-[2,2-Bis(ethoxycarbonyl)-1,3-dihydro-2H-inden-5-yl]-estradiol
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| Structure |
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| Formula |
C33H40O6
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| Molecular Weight |
532.677
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccc(cc2C1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(=O)OCC
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| InChI |
InChI=1S/C33H40O6/c1-4-38-29(35)32(30(36)39-5-2)18-21-6-8-23(16-22(21)19-32)33(37)15-13-28-27-10-7-20-17-24(34)9-11-25(20)26(27)12-14-31(28,33)3/h6,8-9,11,16-17,26-28,34,37H,4-5,7,10,12-15,18-19H2,1-3H3/t26-,27-,28+,31+,33-/m1/s1
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| InChIKey |
SLOGBMJEHQPRAF-OLGNUNBWSA-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