General Information of the Compound
| Compound ID |
CP0533964
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| Compound Name |
(8S)-N-methyl-N-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C22H32N6O
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| Molecular Weight |
396.539
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| Canonical SMILES |
CN(Cc1cc(NCCN2CCOCC2)nc(C)n1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C22H32N6O/c1-17-25-19(15-21(26-17)23-9-10-28-11-13-29-14-12-28)16-27(2)20-7-3-5-18-6-4-8-24-22(18)20/h4,6,8,15,20H,3,5,7,9-14,16H2,1-2H3,(H,23,25,26)/t20-/m0/s1
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| InChIKey |
BXLFBFWLJHYUJV-FQEVSTJZSA-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