General Information of the Compound
| Compound ID |
CP0324111
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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-(3-hydroxypropyl)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylidene-4-(2-methylpropyl)oxolan-2-one
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| Structure |
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| Formula |
C34H52O5
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| Molecular Weight |
540.785
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| Canonical SMILES |
CC(C)C[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](CCCO)[C@H](O)C2=C)OC(=O)C1=C
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| InChI |
InChI=1S/C34H52O5/c1-20(2)17-27-23(5)33(38)39-31(27)18-21(3)28-13-14-29-24(9-7-15-34(28,29)6)11-12-25-19-30(36)26(10-8-16-35)32(37)22(25)4/h11-12,20-21,26-32,35-37H,4-5,7-10,13-19H2,1-3,6H3/b24-11+,25-12-/t21-,26+,27+,28-,29+,30-,31-,32-,34-/m1/s1
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| InChIKey |
HTQJMYRTZTVJBH-QPQACCCPSA-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