General Information of the Compound
| Compound ID |
CP0870065
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| Compound Name |
((2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((4-methoxy-2-methylbenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)methyl)phosphonic acid
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| Structure |
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| Formula |
C36H47N4O12P
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| Molecular Weight |
758.762
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)NCP(=O)(O)O)c(OCC)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(OC)cc1C
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| InChI |
InChI=1S/C36H47N4O12P/c1-6-9-10-11-27(29(7-2)40(22-41)52-36(45)26-15-13-25(49-5)18-23(26)4)33(42)37-20-38-35(44)31-17-16-30(51-31)24-12-14-28(32(19-24)50-8-3)34(43)39-21-53(46,47)48/h12-19,22,27,29H,6-11,20-21H2,1-5H3,(H,37,42)(H,38,44)(H,39,43)(H2,46,47,48)/t27-,29-/m1/s1
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| InChIKey |
BAZWKFQIMWZNND-XRKRLSELSA-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