General Information of the Compound
| Compound ID |
CP0942344
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| Compound Name |
5-ethoxy-2-hydroxy-3-(5-((((2R,3R)-3-(N-hydroxyformamido)-2-phenethylpentanamido)methyl)carbamoyl)furan-2-yl)benzoic acid
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| Structure |
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| Formula |
C29H33N3O9
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| Molecular Weight |
567.595
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| Canonical SMILES |
CCOc1cc(C(=O)O)c(O)c(-c2ccc(C(=O)NCNC(=O)[C@H](CCc3ccccc3)[C@@H](CC)N(O)C=O)o2)c1
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| InChI |
InChI=1S/C29H33N3O9/c1-3-23(32(39)17-33)20(11-10-18-8-6-5-7-9-18)27(35)30-16-31-28(36)25-13-12-24(41-25)21-14-19(40-4-2)15-22(26(21)34)29(37)38/h5-9,12-15,17,20,23,34,39H,3-4,10-11,16H2,1-2H3,(H,30,35)(H,31,36)(H,37,38)/t20-,23-/m1/s1
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| InChIKey |
YBBGCVJEZYUPJH-NFBKMPQASA-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