General Information of the Compound
| Compound ID |
CP0956590
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| Compound Name |
2,4-Difluoro-3-[2-(morpholin-4-yl)pyrimidin-5-yl]benzylcarbamimidoylcarbamate hemi(2R,3R)-tartrate
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| Structure |
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| Formula |
C38H42F4N12O12
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| Molecular Weight |
934.818
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| Canonical SMILES |
N=C(N)NC(=O)OCc1ccc(F)c(-c2cnc(N3CCOCC3)nc2)c1F.N=C(N)NC(=O)OCc1ccc(F)c(-c2cnc(N3CCOCC3)nc2)c1F.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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| InChI |
InChI=1S/2C17H18F2N6O3.C4H6O6/c2*18-12-2-1-10(9-28-17(26)24-15(20)21)14(19)13(12)11-7-22-16(23-8-11)25-3-5-27-6-4-25;5-1(3(7)8)2(6)4(9)10/h2*1-2,7-8H,3-6,9H2,(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 |
TVZXWQTXMHYTJW-CEAXSRTFSA-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