General Information of the Compound
| Compound ID |
CP0878689
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((2-hydroxybenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C32H40N3O11P
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| Molecular Weight |
673.656
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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)c1ccccc1O
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| InChI |
InChI=1S/C32H40N3O11P/c1-4-7-8-11-24(26(5-2)35(20-36)46-32(40)25-12-9-10-13-27(25)37)30(38)33-19-34-31(39)29-15-14-28(45-29)21-16-22(44-6-3)18-23(17-21)47(41,42)43/h9-10,12-18,20,24,26,37H,4-8,11,19H2,1-3H3,(H,33,38)(H,34,39)(H2,41,42,43)/t24-,26-/m1/s1
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| InChIKey |
AEIXLXAZMIMZSC-AOYPEHQESA-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