General Information of the Compound
| Compound ID |
CP0579378
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| Compound Name |
(3R,3aS,4R,5S,6R,7aR)-4-[5-(3-fluorophenyl)pyridin-2-yl]-3,3',5-trimethylspiro[3,3a,4,5,7,7a-hexahydro-2-benzofuran-6,5'-4H-1,2-oxazole]-1-one
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| Structure |
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| Formula |
C24H25FN2O3
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| Molecular Weight |
408.473
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| Canonical SMILES |
C[C@H]1OC(=O)[C@@H]2C[C@@]3(CC(C)=NO3)[C@@H](C)[C@@H]([C@H]12)c1ccc(cn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C24H25FN2O3/c1-13-10-24(30-27-13)11-19-22(15(3)29-23(19)28)21(14(24)2)20-8-7-17(12-26-20)16-5-4-6-18(25)9-16/h4-9,12,14-15,19,21-22H,10-11H2,1-3H3/t14-,15+,19+,21+,22+,24-/m0/s1
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| InChIKey |
GZRYOEZXGNEQRI-FWYBQSBQSA-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