General Information of the Compound
| Compound ID |
CP0527114
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| Compound Name |
6-[3-[(3R)-1-(2-cyanoethyl)piperidin-3-yl]azetidin-1-yl]-1-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
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| Structure |
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| Formula |
C25H26Cl2N8
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| Molecular Weight |
509.445
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCC#N)C1
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| InChI |
InChI=1S/C25H26Cl2N8/c1-16(20-6-5-19(26)10-21(20)27)35-25-24(22(11-29)32-35)30-12-23(31-25)34-14-18(15-34)17-4-2-8-33(13-17)9-3-7-28/h5-6,10,12,16-18H,2-4,8-9,13-15H2,1H3/t16-,17+/m1/s1
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| InChIKey |
IXEUIMZVQATPKI-SJORKVTESA-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