General Information of the Compound
| Compound ID |
CP0533966
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| Compound Name |
(8S)-N-[[6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C22H32N6
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| Molecular Weight |
380.54
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| Canonical SMILES |
C[C@H]1CN(C)CCN1c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1
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| InChI |
InChI=1S/C22H32N6/c1-16-14-26(3)11-12-28(16)21-13-19(24-17(2)25-21)15-27(4)20-9-5-7-18-8-6-10-23-22(18)20/h6,8,10,13,16,20H,5,7,9,11-12,14-15H2,1-4H3/t16-,20-/m0/s1
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| InChIKey |
DJSALXFDFCOWBD-JXFKEZNVSA-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