General Information of the Compound
| Compound ID |
CP0573083
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| Compound Name |
(8S)-N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C21H27F3N6
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| Molecular Weight |
420.483
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| Canonical SMILES |
CN(Cc1cc(nc(n1)C(F)(F)F)N1CCN(C)CC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C21H27F3N6/c1-28-9-11-30(12-10-28)18-13-16(26-20(27-18)21(22,23)24)14-29(2)17-7-3-5-15-6-4-8-25-19(15)17/h4,6,8,13,17H,3,5,7,9-12,14H2,1-2H3/t17-/m0/s1
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| InChIKey |
GLJXQXDJHIHBQR-KRWDZBQOSA-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