General Information of the Compound
| Compound ID |
CP0544468
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| Compound Name |
2-[methyl-[2-methyl-6-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrimidin-4-yl]amino]ethanol
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| Formula |
C19H27N5O
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| Molecular Weight |
341.459
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| Canonical SMILES |
CN(Cc1cc(nc(C)n1)N(C)CCO)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C19H27N5O/c1-14-21-16(12-18(22-14)23(2)10-11-25)13-24(3)17-8-4-6-15-7-5-9-20-19(15)17/h5,7,9,12,17,25H,4,6,8,10-11,13H2,1-3H3/t17-/m0/s1
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| InChIKey |
NWJGALOCPDSVPZ-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