General Information of the Compound
| Compound ID |
CP0398169
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| Compound Name |
(1R,2S,4aR,5R,8R,8aS)-8-[(3R,8S,9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-yl]oxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
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| Structure |
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| Formula |
C32H50O4
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| Molecular Weight |
498.748
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| Canonical SMILES |
CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12)C=C
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| InChI |
InChI=1S/C32H50O4/c1-7-9-10-11-12-13-14-17-25(33)18-15-16-19-26(8-2)36-32(6)23-21-28(34)31(5)22-20-27(24(3)4)29(35)30(31)32/h8,14,17,24-30,33-35H,2,7,9-13,20-23H2,1,3-6H3/b17-14-/t25-,26+,27-,28+,29+,30+,31-,32+/m0/s1
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| InChIKey |
NASVOPQXWLOMMT-QOOSENOVSA-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