General Information of the Compound
| Compound ID |
CP0573081
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| Compound Name |
(8S)-N-methyl-N-[[2-methyl-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C23H34N6
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| Molecular Weight |
394.567
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1C)c1cc(CN(C)[C@H]2CCCc3cccnc23)nc(C)n1
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| InChI |
InChI=1S/C23H34N6/c1-16-13-29(14-17(2)28(16)5)22-12-20(25-18(3)26-22)15-27(4)21-10-6-8-19-9-7-11-24-23(19)21/h7,9,11-12,16-17,21H,6,8,10,13-15H2,1-5H3/t16-,17+,21-/m0/s1
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| InChIKey |
AMAKANBXHLCMHH-FVJLSDCUSA-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