General Information of the Compound
| Compound ID |
CP0575602
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| Compound Name |
(4S,5R)-7-[(3,4-dichlorophenyl)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 |
C19H20Cl2N2O3S
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| Molecular Weight |
427.353
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| Canonical SMILES |
O[C@H]1CN(c2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2ccc(Cl)c(Cl)c2)C1
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| InChI |
InChI=1S/C19H20Cl2N2O3S/c20-16-7-6-14(10-17(16)21)11-22-9-8-19(13-22)18(24)12-23(27(19,25)26)15-4-2-1-3-5-15/h1-7,10,18,24H,8-9,11-13H2/t18-,19+/m0/s1
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| InChIKey |
JNVNZYPKNHVNMU-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