General Information of the Compound
| Compound ID |
CP0969748
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)2-yl)phenyl)phosphonic acid, (-)-1-Deoxy-1-(methylamino)-D-glucitol salt
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| Structure |
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| Formula |
C32H53N4O14P
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| Molecular Weight |
748.764
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)O)c2)o1)[C@@H](CC)N(O)C=O.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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| InChI |
InChI=1S/C25H36N3O9P.C7H17NO5/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35;1-8-2-4(10)6(12)7(13)5(11)3-9/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35);4-13H,2-3H2,1H3/t20-,21-;4-,5+,6+,7+/m10/s1
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| InChIKey |
FYDIFWVTRCEPNY-RXIHNPDHSA-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