General Information of the Compound
| Compound ID |
CP0277651
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| Compound Name |
(3R,5S)-1-(3,5-dimethoxybenzyl)-5-((R)-2-((1R,3aS,7aR)-4-(2-((3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)propyl)-3-hydroxy-3-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C36H51NO6
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| Molecular Weight |
593.805
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| Canonical SMILES |
COc1cc(CN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@@](C)(O)C2=O)cc(OC)c1
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| InChI |
InChI=1S/C36H51NO6/c1-22(14-27-20-36(4,41)34(40)37(27)21-24-15-29(42-5)19-30(16-24)43-6)31-11-12-32-25(8-7-13-35(31,32)3)9-10-26-17-28(38)18-33(39)23(26)2/h9-10,15-16,19,22,27-28,31-33,38-39,41H,2,7-8,11-14,17-18,20-21H2,1,3-6H3/b25-9+,26-10-/t22-,27+,28-,31-,32+,33+,35-,36-/m1/s1
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| InChIKey |
UKFQDUNVYGJKFX-KQDGXGCXSA-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