General Information of the Compound
| Compound ID |
CP0406349
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| Compound Name |
2,2-Dimethyl-propionic 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 |
C27H45NO3
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| Molecular Weight |
431.661
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| Canonical SMILES |
C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[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/C27H45NO3/c1-17-10-9-12-20(28(17)6)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)30-25(23)31-26(29)27(3,4)5/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
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| InChIKey |
VGEVZGPUSONIIS-FCWAOUHXSA-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