General Information of the Compound
| Compound ID |
CP0546389
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| Compound Name |
(3S,8S,9S,10R,13S,14S)-17-[2-hydroxy-8-[2-[[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]octan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Formula |
C40H69N3O8
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| Molecular Weight |
720.005
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| Canonical SMILES |
CC(O)(CCCCCCOCCOCc1cn(CCOCCOCCOCCO)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C40H69N3O8/c1-38-15-12-33(45)28-31(38)8-9-34-35-10-11-37(39(35,2)16-13-36(34)38)40(3,46)14-6-4-5-7-19-47-26-27-51-30-32-29-43(42-41-32)17-20-48-22-24-50-25-23-49-21-18-44/h8,29,33-37,44-46H,4-7,9-28,30H2,1-3H3/t33-,34-,35-,36-,37?,38-,39-,40?/m0/s1
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| InChIKey |
NWJUSVRJFQNHQJ-JCLYULLMSA-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