General Information of the Compound
| Compound ID |
CP0571088
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| Compound Name |
(1S,2R,4aR,5S,6S,8aS)-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-hydroxy-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,2'-oxirane]-1-carboxylic acid
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| Structure |
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| Formula |
C27H30FNO4
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| Molecular Weight |
451.538
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| Canonical SMILES |
C[C@@]12CC[C@@H](O)[C@](C)([C@H]1CC[C@@]1(CO1)[C@H]2\C=C\c1ccc(cn1)-c1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C27H30FNO4/c1-25-12-11-23(30)26(2,24(31)32)21(25)10-13-27(16-33-27)22(25)9-8-20-7-6-18(15-29-20)17-4-3-5-19(28)14-17/h3-9,14-15,21-23,30H,10-13,16H2,1-2H3,(H,31,32)/b9-8+/t21-,22-,23+,25+,26-,27+/m0/s1
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| InChIKey |
LNYLFYOXZJTAJF-BJAWECQKSA-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