General Information of the Compound
| Compound ID |
CP0853210
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((4-fluoro-2-isopropylbenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C35H45FN3O10P
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| Molecular Weight |
717.728
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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(F)cc1C(C)C
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| InChI |
InChI=1S/C35H45FN3O10P/c1-6-9-10-11-28(30(7-2)39(21-40)49-35(43)27-13-12-24(36)18-29(27)22(4)5)33(41)37-20-38-34(42)32-15-14-31(48-32)23-16-25(47-8-3)19-26(17-23)50(44,45)46/h12-19,21-22,28,30H,6-11,20H2,1-5H3,(H,37,41)(H,38,42)(H2,44,45,46)/t28-,30-/m1/s1
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| InChIKey |
GQXLSCJXIKCMSX-PQHLKRTFSA-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