General Information of the Compound
| Compound ID |
CP0944936
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| Compound Name |
(((3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzyl)amino)methyl)phosphonic acid trifluoroacetic acid salt
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| Structure |
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| Formula |
C29H42F3N4O11P
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| Molecular Weight |
710.64
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(CNCP(=O)(O)O)cc(OCC)c2)o1)[C@@H](CC)N(O)C=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H41N4O9P.C2HF3O2/c1-4-7-8-9-22(23(5-2)31(35)18-32)26(33)29-16-30-27(34)25-11-10-24(40-25)20-12-19(13-21(14-20)39-6-3)15-28-17-41(36,37)38;3-2(4,5)1(6)7/h10-14,18,22-23,28,35H,4-9,15-17H2,1-3H3,(H,29,33)(H,30,34)(H2,36,37,38);(H,6,7)/t22-,23-;/m1./s1
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| InChIKey |
XNYLAILLMYSRLL-OHIDFYLOSA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2