General Information of the Compound
| Compound ID |
CP0538568
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| Compound Name |
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
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| Structure |
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| Formula |
C25H26Cl2F3N7
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| Molecular Weight |
552.432
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC(F)(F)F)C1
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| InChI |
InChI=1S/C25H26Cl2F3N7/c1-15(19-5-4-18(26)9-20(19)27)37-24-23(21(10-31)34-37)32-11-22(33-24)36-13-17(14-36)16-3-2-7-35(12-16)8-6-25(28,29)30/h4-5,9,11,15-17H,2-3,6-8,12-14H2,1H3/t15-,16+/m1/s1
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| InChIKey |
KGFKWWUWKDTEFH-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