General Information of the Compound
| Compound ID |
CP0962042
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| Compound Name |
(S)-4-(tert-butoxy)-3-(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)-4-oxobutanoic acid
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| Structure |
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| Formula |
C34H48N4O11
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| Molecular Weight |
688.775
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(=O)N[C@@H](CC(=O)O)C(=O)OC(C)(C)C)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C34H48N4O11/c1-7-10-11-12-24(26(8-2)38(46)20-39)31(43)35-19-36-32(44)28-14-13-27(48-28)21-15-22(17-23(16-21)47-9-3)30(42)37-25(18-29(40)41)33(45)49-34(4,5)6/h13-17,20,24-26,46H,7-12,18-19H2,1-6H3,(H,35,43)(H,36,44)(H,37,42)(H,40,41)/t24-,25+,26-/m1/s1
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| InChIKey |
GHDKEQSWCYKKRC-UODIDJSMSA-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