General Information of the Compound
| Compound ID |
CP0413069
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| Compound Name |
6-((3R,4S)-4-(Azetidin-1-yl)-3-methylpiperidin-1-yl)-1-((R)-1-(2,4-dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazine hydrochloride
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| Structure |
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| Formula |
C23H28Cl2N6
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| Molecular Weight |
459.425
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC1
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| InChI |
InChI=1S/C23H28Cl2N6/c1-14-13-30(10-7-20(14)29-8-4-9-29)21-12-26-22-15(2)28-31(23(22)27-21)16(3)18-6-5-17(24)11-19(18)25/h5-6,11-12,14,16,20H,4,7-10,13H2,1-3H3/t14-,16-,20+/m1/s1
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| InChIKey |
FBEBMWSKPAYCSV-KKVAFCGZSA-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