General Information of the Compound
| Compound ID |
CP0325338
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| Compound Name |
5-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)picolinonitrile
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| Structure |
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| Formula |
C26H18Cl2N6O2
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| Molecular Weight |
517.376
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| Canonical SMILES |
CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(nc1)C#N)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C26H18Cl2N6O2/c1-32-25(36)34(22-9-18(27)8-19(28)10-22)24(35)26(32)15-33(21-7-6-20(12-30)31-13-21)14-23(26)17-4-2-16(11-29)3-5-17/h2-10,13,23H,14-15H2,1H3/t23-,26+/m0/s1
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| InChIKey |
GUCBJWWAPXRWIV-JYFHCDHNSA-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