General Information of the Compound
| Compound ID |
CP0860490
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| Compound Name |
[2-fluoro-3-(4-methyl-2-morpholino-pyrimidin-5-yl)phenyl]methyl N-carbamimidoylcarbamate (2R,3R)-tartrate
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| Structure |
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| Formula |
C22H27FN6O9
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| Molecular Weight |
538.489
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| Canonical SMILES |
Cc1nc(N2CCOCC2)ncc1-c1cccc(COC(=O)NC(=N)N)c1F.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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| InChI |
InChI=1S/C18H21FN6O3.C4H6O6/c1-11-14(9-22-17(23-11)25-5-7-27-8-6-25)13-4-2-3-12(15(13)19)10-28-18(26)24-16(20)21;5-1(3(7)8)2(6)4(9)10/h2-4,9H,5-8,10H2,1H3,(H4,20,21,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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| InChIKey |
SVZQVNHQXRKSAJ-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