General Information of the Compound
| Compound ID |
CP0469427
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| Compound Name |
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(4S,5R)-4-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
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| Structure |
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| Formula |
C28H32Cl2N6O
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| Molecular Weight |
539.511
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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(C)(C)O
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| InChI |
InChI=1S/C28H32Cl2N6O/c1-16-12-18(7-10-24(16)35-11-5-6-25(35)28(3,4)37)23-15-32-26-22(14-31)34-36(27(26)33-23)17(2)20-9-8-19(29)13-21(20)30/h7-9,13,15-17,24-25,37H,5-6,10-12H2,1-4H3/t16-,17-,24+,25+/m1/s1
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| InChIKey |
SMHHJJVPINEKAG-NXIIPSDBSA-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