General Information of the Compound
| Compound ID |
CP0421579
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| Compound Name |
1-[3-[[(8R,9S,13S,14S,17S)-13-methyl-17-pyrrolidin-1-yl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]propyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C29H42N2O2
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| Molecular Weight |
450.667
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(OCCCN5CCCC5=O)ccc34)[C@@H]1CC[C@@H]2N1CCCC1
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| InChI |
InChI=1S/C29H42N2O2/c1-29-14-13-24-23-10-8-22(33-19-5-18-31-17-4-6-28(31)32)20-21(23)7-9-25(24)26(29)11-12-27(29)30-15-2-3-16-30/h8,10,20,24-27H,2-7,9,11-19H2,1H3/t24-,25-,26+,27+,29+/m1/s1
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| InChIKey |
GYUZLAIYHZYQPU-GVGNIZHQSA-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