General Information of the Compound
| Compound ID |
CP0903693
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| Compound Name |
(S)-3-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)-4-((isobutyryloxy)methoxy)-4-oxobutanoic acid
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| Structure |
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| Formula |
C35H48N4O13
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| Molecular Weight |
732.784
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)OCOC(=O)C(C)C)c(OCC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C35H48N4O13/c1-6-9-10-11-23(26(7-2)39(48)19-40)31(43)36-18-37-33(45)28-15-14-27(52-28)22-12-13-24(29(16-22)49-8-3)32(44)38-25(17-30(41)42)35(47)51-20-50-34(46)21(4)5/h12-16,19,21,23,25-26,48H,6-11,17-18,20H2,1-5H3,(H,36,43)(H,37,45)(H,38,44)(H,41,42)/t23-,25+,26-/m1/s1
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| InChIKey |
KYHRQHJQIHEPGS-DMTNHVFBSA-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