General Information of the Compound
| Compound ID |
CP0572110
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| Compound Name |
(4S,5R)-7-[(2-chlorophenyl)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 |
C19H21ClN2O3S
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| Molecular Weight |
392.908
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| Canonical SMILES |
O[C@H]1CN(c2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2ccccc2Cl)C1
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| InChI |
InChI=1S/C19H21ClN2O3S/c20-17-9-5-4-6-15(17)12-21-11-10-19(14-21)18(23)13-22(26(19,24)25)16-7-2-1-3-8-16/h1-9,18,23H,10-14H2/t18-,19+/m0/s1
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| InChIKey |
ATAZWTHGJIJKGM-RBUKOAKNSA-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