General Information of the Compound
| Compound ID |
CP0549028
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| Compound Name |
2-[4-[pyrimidin-4-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C20H28N6O
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| Molecular Weight |
368.485
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| Canonical SMILES |
OCCN1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C20H28N6O/c27-14-13-24-9-11-25(12-10-24)26(15-18-6-8-21-16-23-18)19-5-1-3-17-4-2-7-22-20(17)19/h2,4,6-8,16,19,27H,1,3,5,9-15H2
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| InChIKey |
JUIKFEOXCWDFDV-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