General Information of the Compound
| Compound ID |
CP0857302
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| Compound Name |
N-(3-{2-[4-(2-Hydroxyethyl)piperidin-1-yl]pyrimidin-5-yl}benzyl)-N-methylglycinamide (2R,3R)-tartrate
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| Structure |
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| Formula |
C25H35N5O8
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| Molecular Weight |
533.582
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| Canonical SMILES |
CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCC(CCO)CC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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| InChI |
InChI=1S/C21H29N5O2.C4H6O6/c1-25(15-20(22)28)14-17-3-2-4-18(11-17)19-12-23-21(24-13-19)26-8-5-16(6-9-26)7-10-27;5-1(3(7)8)2(6)4(9)10/h2-4,11-13,16,27H,5-10,14-15H2,1H3,(H2,22,28);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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| InChIKey |
UFVJZCIJYVWNNK-LREBCSMRSA-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