General Information of the Compound
| Compound ID |
CP0205264
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| Compound Name |
(4R,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-methyl-3-methylideneoxolan-2-one
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| Structure |
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| Formula |
C29H42O4
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| Molecular Weight |
454.651
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| Canonical SMILES |
C[C@H](C[C@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](C)[C@H](O)C1=C
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| InChI |
InChI=1S/C29H42O4/c1-16(14-26-17(2)18(3)28(32)33-26)23-11-12-24-21(8-7-13-29(23,24)6)9-10-22-15-25(30)20(5)27(31)19(22)4/h9-10,16-17,20,23-27,30-31H,3-4,7-8,11-15H2,1-2,5-6H3/b21-9+,22-10-/t16-,17-,20+,23-,24+,25-,26-,27-,29-/m1/s1
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| InChIKey |
XHGINMPRHPSKTP-HQKAHQMISA-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