General Information of the Compound
| Compound ID |
CP0173486
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| Compound Name |
(4R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylidene-4-propyloxolan-2-one
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| Structure |
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| Formula |
C33H50O6
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| Molecular Weight |
542.757
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| Canonical SMILES |
CCC[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](OCCCO)[C@H](O)C2=C)OC(=O)C1=C
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| InChI |
InChI=1S/C33H50O6/c1-6-9-25-22(4)32(37)39-29(25)18-20(2)26-13-14-27-23(10-7-15-33(26,27)5)11-12-24-19-28(35)31(30(36)21(24)3)38-17-8-16-34/h11-12,20,25-31,34-36H,3-4,6-10,13-19H2,1-2,5H3/b23-11+,24-12-/t20-,25-,26-,27+,28-,29+,30-,31+,33-/m1/s1
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| InChIKey |
ANMDQTCGJNGDBJ-ODQPUKITSA-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