General Information of the Compound
| Compound ID |
CP0572185
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| Compound Name |
(3R,3aS,4S,5S,7aR)-4-[5-(3-fluorophenyl)pyridin-2-yl]-3,5-dimethylspiro[3,3a,4,5,7,7a-hexahydro-2-benzofuran-6,5'-imidazolidine]-1,2',4'-trione
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| Structure |
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| Formula |
C23H22FN3O4
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| Molecular Weight |
423.444
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| Canonical SMILES |
C[C@H]1OC(=O)[C@@H]2CC3(NC(=O)NC3=O)[C@@H](C)[C@@H]([C@H]12)c1ccc(cn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C23H22FN3O4/c1-11-18(17-7-6-14(10-25-17)13-4-3-5-15(24)8-13)19-12(2)31-20(28)16(19)9-23(11)21(29)26-22(30)27-23/h3-8,10-12,16,18-19H,9H2,1-2H3,(H2,26,27,29,30)/t11-,12+,16+,18+,19+,23?/m0/s1
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| InChIKey |
RLIQYZBUZWFDCY-PVRCLSPLSA-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