General Information of the Compound
| Compound ID |
CP0516861
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| Compound Name |
3-[(3R)-3-[1-[3-cyano-1-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C25H27Cl2N7O2
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| Molecular Weight |
528.444
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(O)=O)C1
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| InChI |
InChI=1S/C25H27Cl2N7O2/c1-15(19-5-4-18(26)9-20(19)27)34-25-24(21(10-28)31-34)29-11-22(30-25)33-13-17(14-33)16-3-2-7-32(12-16)8-6-23(35)36/h4-5,9,11,15-17H,2-3,6-8,12-14H2,1H3,(H,35,36)/t15-,16+/m1/s1
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| InChIKey |
WHPKIATWFBOUHJ-CVEARBPZSA-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