General Information of the Compound
| Compound ID |
CP0491755
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| Compound Name |
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(4S,5R)-5-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]cyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
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| Structure |
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| Formula |
C26H28Cl2N6
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| Molecular Weight |
495.458
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1C
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| InChI |
InChI=1S/C26H28Cl2N6/c1-15-11-18(6-9-24(15)33-10-4-5-16(33)2)23-14-30-25-22(13-29)32-34(26(25)31-23)17(3)20-8-7-19(27)12-21(20)28/h6-8,12,14-17,24H,4-5,9-11H2,1-3H3/t15-,16-,17-,24+/m1/s1
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| InChIKey |
HXCOUSZKZHLJDV-AKVMLJAXSA-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