General Information of the Compound
| Compound ID |
CP0956589
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| Compound Name |
N-Carbamimidoyl-2-(3-{2-[2-(morpholin-4-yl)pyrimidin-5-yl]ethyl}phenyl)acetamide hemi(2R,3R)-tartrate
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| Structure |
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| Formula |
C42H54N12O10
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| Molecular Weight |
886.968
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| Canonical SMILES |
N=C(N)NC(=O)Cc1cccc(CCc2cnc(N3CCOCC3)nc2)c1.N=C(N)NC(=O)Cc1cccc(CCc2cnc(N3CCOCC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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| InChI |
InChI=1S/2C19H24N6O2.C4H6O6/c2*20-18(21)24-17(26)11-15-3-1-2-14(10-15)4-5-16-12-22-19(23-13-16)25-6-8-27-9-7-25;5-1(3(7)8)2(6)4(9)10/h2*1-3,10,12-13H,4-9,11H2,(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 |
YJXKJVSKHZXDHL-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