General Information of the Compound
| Compound ID |
CP0870052
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| Compound Name |
(S)-bis((isobutyryloxy)methyl) 2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinate
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| Structure |
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| Formula |
C40H56N4O15
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| Molecular Weight |
832.901
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)OCOC(=O)C(C)C)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/C40H56N4O15/c1-8-11-12-13-27(30(9-2)44(53)21-45)35(47)41-20-42-37(49)32-17-16-31(59-32)26-14-15-28(33(18-26)54-10-3)36(48)43-29(40(52)58-23-57-39(51)25(6)7)19-34(46)55-22-56-38(50)24(4)5/h14-18,21,24-25,27,29-30,53H,8-13,19-20,22-23H2,1-7H3,(H,41,47)(H,42,49)(H,43,48)/t27-,29+,30-/m1/s1
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| InChIKey |
XBSBVHLCEZPIMX-CCNCKIRNSA-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