General Information of the Compound
| Compound ID |
CP0964602
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| Compound Name |
3-{1-[5-(3-{[Glycyl(methyl)amino]methyl}phenyl)pyrimidin-2-yl]piperidin-4-yl}propanoic acid dihydrochloride
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| Structure |
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| Formula |
C22H31Cl2N5O3
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| Molecular Weight |
484.428
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| Canonical SMILES |
CN(Cc1cccc(-c2cnc(N3CCC(CCC(=O)O)CC3)nc2)c1)C(=O)CN.Cl.Cl
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| InChI |
InChI=1S/C22H29N5O3.2ClH/c1-26(20(28)12-23)15-17-3-2-4-18(11-17)19-13-24-22(25-14-19)27-9-7-16(8-10-27)5-6-21(29)30;;/h2-4,11,13-14,16H,5-10,12,15,23H2,1H3,(H,29,30);2*1H
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| InChIKey |
AYJFSPGUOGHHRG-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