General Information of the Compound
| Compound ID |
CP0869732
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((4-(2-oxopyrrolidin-1-yl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid, diammonia salt
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| Structure |
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| Formula |
C36H51N6O11P
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| Molecular Weight |
774.809
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(N2CCCC2=O)cc1.N.N
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| InChI |
InChI=1S/C36H45N4O11P.2H3N/c1-4-7-8-10-29(30(5-2)40(23-41)51-36(45)24-12-14-26(15-13-24)39-18-9-11-33(39)42)34(43)37-22-38-35(44)32-17-16-31(50-32)25-19-27(49-6-3)21-28(20-25)52(46,47)48;;/h12-17,19-21,23,29-30H,4-11,18,22H2,1-3H3,(H,37,43)(H,38,44)(H2,46,47,48);2*1H3/t29-,30-;;/m1../s1
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| InChIKey |
GLJDTBWTGCUABL-SEILFYAJSA-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