General Information of the Compound
| Compound ID |
CP0911121
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| Compound Name |
N-Methyl-N-{3-[2-(piperidin-1-yl)pyrimidin-5-yl]benzyl}glycinamide dihydrochloride
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| Structure |
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| Formula |
C19H27Cl2N5O
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| Molecular Weight |
412.365
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| Canonical SMILES |
CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCCCC3)nc2)c1.Cl.Cl
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| InChI |
InChI=1S/C19H25N5O.2ClH/c1-23(14-18(20)25)13-15-6-5-7-16(10-15)17-11-21-19(22-12-17)24-8-3-2-4-9-24;;/h5-7,10-12H,2-4,8-9,13-14H2,1H3,(H2,20,25);2*1H
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| InChIKey |
QXZDMRFBYWVZGH-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