General Information of the Compound
| Compound ID |
CP0968603
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| Compound Name |
[1-(4-Chlorophenyl)-2-(2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl)ethyl]pyridin-2-ylmethylamine
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| Structure |
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| Formula |
C22H25ClN6
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| Molecular Weight |
408.937
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| Canonical SMILES |
Clc1ccc(C(CN2CCN(c3cnccn3)CC2)NCc2ccccn2)cc1
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| InChI |
InChI=1S/C22H25ClN6/c23-19-6-4-18(5-7-19)21(27-15-20-3-1-2-8-25-20)17-28-11-13-29(14-12-28)22-16-24-9-10-26-22/h1-10,16,21,27H,11-15,17H2
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| InChIKey |
OIPBWRGMFWMOFL-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