General Information of the Compound
| Compound ID |
CP0775817
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| Compound Name |
(1R,2S,3S)-5-(2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-2-(3-hydroxypropyl)-4-methylcyclohex-4-ene-1,3-diol
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| Structure |
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| Formula |
C30H50O4
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| Molecular Weight |
474.726
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| Canonical SMILES |
CC1=C(/C=C\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](CCCO)[C@@H]1O
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| InChI |
InChI=1S/C30H50O4/c1-20(9-6-16-29(3,4)34)25-14-15-26-22(10-7-17-30(25,26)5)12-13-23-19-27(32)24(11-8-18-31)28(33)21(23)2/h10,12-13,20,24-28,31-34H,6-9,11,14-19H2,1-5H3/b13-12-/t20-,24+,25-,26-,27-,28-,30-/m1/s1
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| InChIKey |
UYXIMRMCJVSSFB-FDTDFCBPSA-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