General Information of the Compound
| Compound ID |
CP0878529
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| Compound Name |
3-Carbamimidoyl-1-methyl-1-{3-[2-(morpholin-4-yl)pyrimidin-5-yl]benzyl}urea (2R,3R)-tartrate
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| Structure |
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| Formula |
C22H29N7O8
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| Molecular Weight |
519.515
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| Canonical SMILES |
CN(Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1)C(=O)NC(=N)N.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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| InChI |
InChI=1S/C18H23N7O2.C4H6O6/c1-24(18(26)23-16(19)20)12-13-3-2-4-14(9-13)15-10-21-17(22-11-15)25-5-7-27-8-6-25;5-1(3(7)8)2(6)4(9)10/h2-4,9-11H,5-8,12H2,1H3,(H4,19,20,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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| InChIKey |
OPNUSNKQHYGBBW-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