General Information of the Compound
| Compound ID |
CP0552299
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| Compound Name |
(4S,5R)-1,1-dioxo-2-phenyl-7-(quinolin-3-ylmethyl)-1lambda6-thia-2,7-diazaspiro[4.4]nonan-4-ol
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| Structure |
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| Formula |
C22H23N3O3S
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| Molecular Weight |
409.511
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| Canonical SMILES |
O[C@H]1CN(c2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2cnc3ccccc3c2)C1
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| InChI |
InChI=1S/C22H23N3O3S/c26-21-15-25(19-7-2-1-3-8-19)29(27,28)22(21)10-11-24(16-22)14-17-12-18-6-4-5-9-20(18)23-13-17/h1-9,12-13,21,26H,10-11,14-16H2/t21-,22+/m0/s1
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| InChIKey |
YCHNBQLSJYFYAY-FCHUYYIVSA-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