General Information of the Compound
| Compound ID |
CP0222523
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| Compound Name |
(4S,5R)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,4S,5R)-3,5-dihydroxy-4-methyl-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-ethyl-3-methylideneoxolan-2-one
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| Structure |
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| Formula |
C30H44O4
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| Molecular Weight |
468.678
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| Canonical SMILES |
CC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C
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| InChI |
InChI=1S/C30H44O4/c1-7-23-19(4)29(33)34-27(23)15-17(2)24-12-13-25-21(9-8-14-30(24,25)6)10-11-22-16-26(31)20(5)28(32)18(22)3/h10-11,17,20,23-28,31-32H,3-4,7-9,12-16H2,1-2,5-6H3/b21-10+,22-11-/t17-,20+,23+,24-,25+,26-,27-,28-,30-/m1/s1
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| InChIKey |
GTLJMMKTTKGGNF-KZONNRTRSA-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