General Information of the Compound
| Compound ID |
CP0872466
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-(((4R,5R)-5-ethyl-6-formyl-11,11-dimethyl-3,10-dioxo-4-pentyl-7,9-dioxa-2,6-diazadodecyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C36H50N4O13
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| Molecular Weight |
746.811
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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)O)c(OCC)c2)o1)[C@@H](CC)N(C=O)OCOC(=O)C(C)(C)C
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| InChI |
InChI=1S/C36H50N4O13/c1-7-10-11-12-23(26(8-2)40(20-41)52-21-51-35(49)36(4,5)6)31(44)37-19-38-33(46)28-16-15-27(53-28)22-13-14-24(29(17-22)50-9-3)32(45)39-25(34(47)48)18-30(42)43/h13-17,20,23,25-26H,7-12,18-19,21H2,1-6H3,(H,37,44)(H,38,46)(H,39,45)(H,42,43)(H,47,48)/t23-,25+,26-/m1/s1
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| InChIKey |
MZKJYCMLNFGDOX-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