General Information of the Compound
| Compound ID |
CP0140690
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| Compound Name |
(5R)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4,4-dimethyl-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)C1(C)C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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| InChI |
InChI=1S/C29H42O4/c1-17(14-26-28(4,5)19(3)27(32)33-26)23-11-12-24-20(8-7-13-29(23,24)6)9-10-21-15-22(30)16-25(31)18(21)2/h9-10,17,22-26,30-31H,2-3,7-8,11-16H2,1,4-6H3/b20-9+,21-10-/t17-,22-,23-,24+,25+,26-,29-/m1/s1
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| InChIKey |
VCECPHFVMGWDQP-GQMNOOQGSA-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