General Information of the Compound
| Compound ID |
CP0571934
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| Compound Name |
(1R,2R,4aR,5S,6S,8aS)-5-[(E)-2-[5-(3-fluorophenyl)-1-oxidopyridin-1-ium-2-yl]ethenyl]-2-hydroxy-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,2'-oxirane]-1-carbaldehyde
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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=O)[C@H]1CC[C@@]1(CO1)[C@H]2\C=C\c1ccc(c[n+]1[O-])-c1cccc(F)c1
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| InChI |
InChI=1S/C27H30FNO4/c1-25-12-11-24(31)26(2,16-30)22(25)10-13-27(17-33-27)23(25)9-8-21-7-6-19(15-29(21)32)18-4-3-5-20(28)14-18/h3-9,14-16,22-24,31H,10-13,17H2,1-2H3/b9-8+/t22-,23-,24+,25+,26+,27+/m0/s1
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| InChIKey |
IDPBXTNLHGAFED-GJVCXPFVSA-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