General Information of the Compound
| Compound ID |
CP0491477
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| Compound Name |
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[(3R,4S)-3-methyl-4-piperidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine
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| Structure |
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| Formula |
C25H32Cl2N6
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| Molecular Weight |
487.479
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCCCC1
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| InChI |
InChI=1S/C25H32Cl2N6/c1-16-15-32(12-9-22(16)31-10-5-4-6-11-31)23-14-28-24-17(2)30-33(25(24)29-23)18(3)20-8-7-19(26)13-21(20)27/h7-8,13-14,16,18,22H,4-6,9-12,15H2,1-3H3/t16-,18-,22+/m1/s1
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| InChIKey |
CMQWXPKMVHCRIK-CDMIOBSGSA-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