General Information of the Compound
| Compound ID |
CP0870046
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| Compound Name |
(3-ethoxy-5-(5-(((4R,5R)-5-ethyl-6-formyl-10-methyl-3,8-dioxo-4-pentyl-10-phenyl-7-oxa-2,6,9-triazaundecyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C35H47N4O10P
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| Molecular Weight |
714.753
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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)NC(C)(C)c1ccccc1
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| InChI |
InChI=1S/C35H47N4O10P/c1-6-9-11-16-28(29(7-2)39(23-40)49-34(43)38-35(4,5)25-14-12-10-13-15-25)32(41)36-22-37-33(42)31-18-17-30(48-31)24-19-26(47-8-3)21-27(20-24)50(44,45)46/h10,12-15,17-21,23,28-29H,6-9,11,16,22H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)(H2,44,45,46)/t28-,29-/m1/s1
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| InChIKey |
IISHUPMQKNOPQH-FQLXRVMXSA-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