General Information of the Compound
| Compound ID |
CP0904633
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| Compound Name |
2-Fluoro-3-[4-(pyridin-3-yl)piperazin-1-yl]benzyl-N-carbamimidoylcarbamate (2R,3R)-tartrate
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| Structure |
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| Formula |
C22H27FN6O8
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| Molecular Weight |
522.49
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| Canonical SMILES |
N=C(N)NC(=O)OCc1cccc(N2CCN(c3cccnc3)CC2)c1F.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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| InChI |
InChI=1S/C18H21FN6O2.C4H6O6/c19-16-13(12-27-18(26)23-17(20)21)3-1-5-15(16)25-9-7-24(8-10-25)14-4-2-6-22-11-14;5-1(3(7)8)2(6)4(9)10/h1-6,11H,7-10,12H2,(H4,20,21,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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| InChIKey |
BNBILCFIFNNGLI-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