General Information of the Compound
| Compound ID |
CP0880519
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((2-ethylbutanoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C31H46N3O10P
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| Molecular Weight |
651.694
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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)C(CC)CC
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| InChI |
InChI=1S/C31H46N3O10P/c1-6-11-12-13-25(26(9-4)34(20-35)44-31(38)21(7-2)8-3)29(36)32-19-33-30(37)28-15-14-27(43-28)22-16-23(42-10-5)18-24(17-22)45(39,40)41/h14-18,20-21,25-26H,6-13,19H2,1-5H3,(H,32,36)(H,33,37)(H2,39,40,41)/t25-,26-/m1/s1
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| InChIKey |
BSLGSBTVOFGXPD-CLJLJLNGSA-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