General Information of the Compound
| Compound ID |
CP0477787
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| Compound Name |
(8R)-N-methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C20H28N6
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| Molecular Weight |
352.486
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| Canonical SMILES |
CN(Cc1cc(ncn1)N1CCN(C)CC1)[C@@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C20H28N6/c1-24-9-11-26(12-10-24)19-13-17(22-15-23-19)14-25(2)18-7-3-5-16-6-4-8-21-20(16)18/h4,6,8,13,15,18H,3,5,7,9-12,14H2,1-2H3/t18-/m1/s1
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| InChIKey |
LPTRCGOYHAYNCF-GOSISDBHSA-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