General Information of the Compound
| Compound ID |
CP0537590
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| Compound Name |
(4S,5R)-7-[(3-fluoro-4-methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-1lambda6-thia-2,7-diazaspiro[4.4]nonan-4-ol
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| Structure |
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| Formula |
C20H23FN2O4S
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| Molecular Weight |
406.479
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| Canonical SMILES |
COc1ccc(CN2CC[C@@]3(C2)[C@@H](O)CN(c2ccccc2)S3(=O)=O)cc1F
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| InChI |
InChI=1S/C20H23FN2O4S/c1-27-18-8-7-15(11-17(18)21)12-22-10-9-20(14-22)19(24)13-23(28(20,25)26)16-5-3-2-4-6-16/h2-8,11,19,24H,9-10,12-14H2,1H3/t19-,20+/m0/s1
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| InChIKey |
SJOHVIOMUHVDOJ-VQTJNVASSA-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