General Information of the Compound
| Compound ID |
CP0488001
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| Compound Name |
(3R,8S,9Z)-3-[[(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]heptadeca-1,9-dien-4,6-diyn-8-ol
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| Structure |
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| Formula |
C32H50O3
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| Molecular Weight |
482.749
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| Canonical SMILES |
CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O[C@]1(C)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(C)(C)O)C=C
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| InChI |
InChI=1S/C32H50O3/c1-7-9-10-11-12-13-14-18-27(33)19-15-16-20-28(8-2)35-32(6)23-17-22-31(5)24-21-26(25-29(31)32)30(3,4)34/h8,14,18,26-29,33-34H,2,7,9-13,17,21-25H2,1,3-6H3/b18-14-/t26-,27+,28-,29-,31-,32-/m1/s1
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| InChIKey |
LEAHHMLIRIMDNS-PMKWWRLWSA-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