General Information of the Compound
| Compound ID |
CP0853207
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((2-methyl-6-((phosphonooxy)methoxy)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid, tetraammonia salt
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| Structure |
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| Formula |
C34H57N7O15P2
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| Molecular Weight |
865.812
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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)c1c(C)cccc1OCOP(=O)(O)O.N.N.N.N
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| InChI |
InChI=1S/C34H45N3O15P2.4H3N/c1-5-8-9-12-26(27(6-2)37(20-38)52-34(41)31-22(4)11-10-13-29(31)49-21-50-54(45,46)47)32(39)35-19-36-33(40)30-15-14-28(51-30)23-16-24(48-7-3)18-25(17-23)53(42,43)44;;;;/h10-11,13-18,20,26-27H,5-9,12,19,21H2,1-4H3,(H,35,39)(H,36,40)(H2,42,43,44)(H2,45,46,47);4*1H3/t26-,27-;;;;/m1..../s1
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| InChIKey |
CLNQZEFBNSOKQH-NZIRIKNKSA-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