General Information of the Compound
| Compound ID |
CP0387501
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| Compound Name |
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine
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| Structure |
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| Formula |
C25H32Cl2N6O2S
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| Molecular Weight |
551.544
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCS(C)(=O)=O)C1
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| InChI |
InChI=1S/C25H32Cl2N6O2S/c1-16-24-25(33(30-16)17(2)21-7-6-20(26)11-22(21)27)29-23(12-28-24)32-14-19(15-32)18-5-4-8-31(13-18)9-10-36(3,34)35/h6-7,11-12,17-19H,4-5,8-10,13-15H2,1-3H3/t17-,18+/m1/s1
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| InChIKey |
OLALRJMAUPJFKD-MSOLQXFVSA-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