General Information of the Compound
| Compound ID |
CP0904616
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| Compound Name |
1-[5-(3-{[Glycyl(methyl)amino]methyl}phenyl)pyrimidin-2-yl]piperidine-4-carboxylic acid dihydrochloride
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| Structure |
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| Formula |
C20H27Cl2N5O3
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| Molecular Weight |
456.374
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| Canonical SMILES |
CN(Cc1cccc(-c2cnc(N3CCC(C(=O)O)CC3)nc2)c1)C(=O)CN.Cl.Cl
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| InChI |
InChI=1S/C20H25N5O3.2ClH/c1-24(18(26)10-21)13-14-3-2-4-16(9-14)17-11-22-20(23-12-17)25-7-5-15(6-8-25)19(27)28;;/h2-4,9,11-12,15H,5-8,10,13,21H2,1H3,(H,27,28);2*1H
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| InChIKey |
MFQMTWLSNAUJHO-UHFFFAOYSA-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