General Information of the Compound
| Compound ID |
CP0517430
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| Compound Name |
4-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]butanoic acid
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| Structure |
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| Formula |
C26H32Cl2N6O2
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| Molecular Weight |
531.488
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCCC(O)=O)C1
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| InChI |
InChI=1S/C26H32Cl2N6O2/c1-16-25-26(34(31-16)17(2)21-8-7-20(27)11-22(21)28)30-23(12-29-25)33-14-19(15-33)18-5-3-9-32(13-18)10-4-6-24(35)36/h7-8,11-12,17-19H,3-6,9-10,13-15H2,1-2H3,(H,35,36)/t17-,18+/m1/s1
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| InChIKey |
ZAWHHCHWSWPMPE-MSOLQXFVSA-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