General Information of the Compound
| Compound ID |
CP0522671
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| Compound Name |
3-butyl-1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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| Structure |
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| Formula |
C28H32FN5O2
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| Molecular Weight |
489.595
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| Canonical SMILES |
CCCCN1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3)CC2)C1=O
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| InChI |
InChI=1S/C28H32FN5O2/c1-2-3-15-33-26(35)28(34(27(33)36)20-23-6-4-5-7-25(23)29)12-16-31(17-13-28)19-22-8-10-24(11-9-22)32-18-14-30-21-32/h4-11,14,18,21H,2-3,12-13,15-17,19-20H2,1H3
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| InChIKey |
QHQVEAJEFHEAMT-UHFFFAOYSA-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