General Information of the Compound
| Compound ID |
CP0968604
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| Compound Name |
Pyridin-2-ylmethyl-[1-pyridin-4-yl-2-(2,3,5,6-tetrahydro[1,2']bipyrazinyl-4-yl)ethyl]amine
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| Structure |
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| Formula |
C21H25N7
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| Molecular Weight |
375.48
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| Canonical SMILES |
c1ccc(CNC(CN2CCN(c3cnccn3)CC2)c2ccncc2)nc1
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| InChI |
InChI=1S/C21H25N7/c1-2-6-24-19(3-1)15-26-20(18-4-7-22-8-5-18)17-27-11-13-28(14-12-27)21-16-23-9-10-25-21/h1-10,16,20,26H,11-15,17H2
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| InChIKey |
KBMBTIKZWGSQEM-UHFFFAOYSA-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