General Information of the Compound
| Compound ID |
CP0869738
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((2-methyl-4-morpholinobenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid, diammonia salt
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| Structure |
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| Formula |
C37H55N6O11P
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| Molecular Weight |
790.852
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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(N2CCOCC2)cc1C.N.N
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| InChI |
InChI=1S/C37H49N4O11P.2H3N/c1-5-8-9-10-31(32(6-2)41(24-42)52-37(45)30-12-11-27(19-25(30)4)40-15-17-49-18-16-40)35(43)38-23-39-36(44)34-14-13-33(51-34)26-20-28(50-7-3)22-29(21-26)53(46,47)48;;/h11-14,19-22,24,31-32H,5-10,15-18,23H2,1-4H3,(H,38,43)(H,39,44)(H2,46,47,48);2*1H3/t31-,32-;;/m1../s1
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| InChIKey |
ZGGOCNLFUZDGFY-YIECZYFASA-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