General Information of the Compound
| Compound ID |
CP0286805
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| Compound Name |
(3S,5S)-1-(3,5-diethoxybenzyl)-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 |
C38H55NO6
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| Molecular Weight |
621.859
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| Canonical SMILES |
CCOc1cc(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(OCC)c1
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| InChI |
InChI=1S/C38H55NO6/c1-7-44-31-17-26(18-32(21-31)45-8-2)23-39-29(22-38(6,43)36(39)42)16-24(3)33-13-14-34-27(10-9-15-37(33,34)5)11-12-28-19-30(40)20-35(41)25(28)4/h11-12,17-18,21,24,29-30,33-35,40-41,43H,4,7-10,13-16,19-20,22-23H2,1-3,5-6H3/b27-11+,28-12-/t24-,29+,30-,33-,34+,35+,37-,38+/m1/s1
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| InChIKey |
DIVLTFFLNVQBNQ-DKEZQWOMSA-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