General Information of the Compound
| Compound ID |
CP0222966
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| Compound Name |
1-((R)-1-(2,4-Dichlorophenyl)ethyl)-6-((3R,4S)-4-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)-3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazine-3-carbonitrile hydrochloride
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| Structure |
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| Formula |
C25H29Cl2N7O
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| Molecular Weight |
514.461
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO
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| InChI |
InChI=1S/C25H29Cl2N7O/c1-15-13-32(9-7-22(15)33-8-3-4-18(33)14-35)23-12-29-24-21(11-28)31-34(25(24)30-23)16(2)19-6-5-17(26)10-20(19)27/h5-6,10,12,15-16,18,22,35H,3-4,7-9,13-14H2,1-2H3/t15-,16-,18+,22+/m1/s1
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| InChIKey |
MFJMECBECSYCCV-LVOOAJGHSA-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