General Information of the Compound
| Compound ID |
CP0373209
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| Compound Name |
(8S,11R,13S,14S)-13-methyl-11-(4-pyridin-3-ylphenyl)spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-cyclopentane]-1',3-dione
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| Structure |
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| Formula |
C33H35NO2
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| Molecular Weight |
477.648
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| Canonical SMILES |
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC21CCCC1=O)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C33H35NO2/c1-32-19-28(22-8-6-21(7-9-22)24-4-3-17-34-20-24)31-26-13-11-25(35)18-23(26)10-12-27(31)29(32)14-16-33(32)15-2-5-30(33)36/h3-4,6-9,17-18,20,27-29H,2,5,10-16,19H2,1H3/t27-,28+,29-,32-,33?/m0/s1
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| InChIKey |
QMKIPDAXFGAMES-MWQFIUDFSA-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