General Information of the Compound
| Compound ID |
CP0516862
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| Compound Name |
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]-N-methylpyrazolo[3,4-b]pyrazine-3-carboxamide
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| Structure |
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| Formula |
C25H31Cl2N7O2
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| Molecular Weight |
532.476
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| Canonical SMILES |
CNC(=O)c1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(cnc12)N1CC(C1)[C@H]1CCCN(CCO)C1
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| InChI |
InChI=1S/C25H31Cl2N7O2/c1-15(19-6-5-18(26)10-20(19)27)34-24-22(23(31-34)25(36)28-2)29-11-21(30-24)33-13-17(14-33)16-4-3-7-32(12-16)8-9-35/h5-6,10-11,15-17,35H,3-4,7-9,12-14H2,1-2H3,(H,28,36)/t15-,16+/m1/s1
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| InChIKey |
SHOZHOOYFGLDBV-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