General Information of the Compound
| Compound ID |
CP0569603
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| Compound Name |
tert-butyl 4-[pyrimidin-4-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H32N6O2
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| Molecular Weight |
424.549
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)N(Cc1ccncn1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C23H32N6O2/c1-23(2,3)31-22(30)27-12-14-28(15-13-27)29(16-19-9-11-24-17-26-19)20-8-4-6-18-7-5-10-25-21(18)20/h5,7,9-11,17,20H,4,6,8,12-16H2,1-3H3
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| InChIKey |
LUWOYTVQEFACAW-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