General Information of the Compound
| Compound ID |
CP0864152
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-(2-phenylacetoxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C33H42N3O10P
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| Molecular Weight |
671.684
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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)Cc1ccccc1
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| InChI |
InChI=1S/C33H42N3O10P/c1-4-7-9-14-27(28(5-2)36(22-37)46-31(38)17-23-12-10-8-11-13-23)32(39)34-21-35-33(40)30-16-15-29(45-30)24-18-25(44-6-3)20-26(19-24)47(41,42)43/h8,10-13,15-16,18-20,22,27-28H,4-7,9,14,17,21H2,1-3H3,(H,34,39)(H,35,40)(H2,41,42,43)/t27-,28-/m1/s1
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| InChIKey |
FRLZLQOBEPHJPT-VSGBNLITSA-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