General Information of the Compound
| Compound ID |
CP0560458
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| Compound Name |
(8S)-N-methyl-N-[[2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C23H32N6O
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| Molecular Weight |
408.55
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| Canonical SMILES |
CN(Cc1cc(nc(C)n1)N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C23H32N6O/c1-17-25-19(14-27(2)21-7-3-5-18-6-4-8-24-23(18)21)13-22(26-17)29-11-9-28(10-12-29)20-15-30-16-20/h4,6,8,13,20-21H,3,5,7,9-12,14-16H2,1-2H3/t21-/m0/s1
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| InChIKey |
KCPBEGLEDVYMAX-NRFANRHFSA-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