General Information of the Compound
| Compound ID |
CP0938218
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-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 |
C36H48N4O14
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| Molecular Weight |
760.794
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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(=O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)C(CC)CC
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| InChI |
InChI=1S/C36H48N4O14/c1-5-9-10-11-23(26(8-4)40(20-41)54-36(51)21(6-2)7-3)32(46)37-19-38-34(48)28-15-14-27(53-28)22-12-13-24(29(16-22)52-18-31(44)45)33(47)39-25(35(49)50)17-30(42)43/h12-16,20-21,23,25-26H,5-11,17-19H2,1-4H3,(H,37,46)(H,38,48)(H,39,47)(H,42,43)(H,44,45)(H,49,50)/t23-,25+,26-/m1/s1
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| InChIKey |
CBCOCXRADCIVRP-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