General Information of the Compound
| Compound ID |
CP0878772
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((2-methyl-4-(morpholinomethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C38H51N4O11P
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| Molecular Weight |
770.817
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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(CN2CCOCC2)cc1C
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| InChI |
InChI=1S/C38H51N4O11P/c1-5-8-9-10-32(33(6-2)42(25-43)53-38(46)31-12-11-27(19-26(31)4)23-41-15-17-50-18-16-41)36(44)39-24-40-37(45)35-14-13-34(52-35)28-20-29(51-7-3)22-30(21-28)54(47,48)49/h11-14,19-22,25,32-33H,5-10,15-18,23-24H2,1-4H3,(H,39,44)(H,40,45)(H2,47,48,49)/t32-,33-/m1/s1
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| InChIKey |
BUZHVVSWMAZQJG-CZNDPXEESA-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