General Information of the Compound
| Compound ID |
CP0431696
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| Compound Name |
Acetic acid (1R,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-dimethyl-piperidin-2-yl)-vinyl]-3-methyl-dodecahydro-naphtho[2,3-c]furan-1-yl ester
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| Structure |
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| Formula |
C24H39NO3
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| Molecular Weight |
389.58
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| Canonical SMILES |
C[C@@H]1O[C@H](OC(C)=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
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| InChI |
InChI=1S/C24H39NO3/c1-15-8-7-10-19(25(15)4)12-13-21-20-11-6-5-9-18(20)14-22-23(21)16(2)27-24(22)28-17(3)26/h12-13,15-16,18-24H,5-11,14H2,1-4H3/b13-12+/t15-,16-,18+,19+,20-,21+,22-,23+,24+/m0/s1
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| InChIKey |
BQTGXDXNXYXRIJ-BHKKRPJDSA-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