General Information of the Compound
| Compound ID |
CP0912257
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((2-ethylbutanoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C36H50N4O12
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| Molecular Weight |
730.812
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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)OC(=O)C(CC)CC
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| InChI |
InChI=1S/C36H50N4O12/c1-6-11-12-13-24(27(9-4)40(21-41)52-36(49)22(7-2)8-3)32(44)37-20-38-34(46)29-17-16-28(51-29)23-14-15-25(30(18-23)50-10-5)33(45)39-26(35(47)48)19-31(42)43/h14-18,21-22,24,26-27H,6-13,19-20H2,1-5H3,(H,37,44)(H,38,46)(H,39,45)(H,42,43)(H,47,48)/t24-,26+,27-/m1/s1
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| InChIKey |
VJWAONCNSJCXNR-FXVJXKIMSA-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