General Information of the Compound
| Compound ID |
CP0912255
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((2-fluoro-6-methylbenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C33H41FN3O10P
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| Molecular Weight |
689.674
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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)cccc1F
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| InChI |
InChI=1S/C33H41FN3O10P/c1-5-8-9-12-25(27(6-2)37(20-38)47-33(41)30-21(4)11-10-13-26(30)34)31(39)35-19-36-32(40)29-15-14-28(46-29)22-16-23(45-7-3)18-24(17-22)48(42,43)44/h10-11,13-18,20,25,27H,5-9,12,19H2,1-4H3,(H,35,39)(H,36,40)(H2,42,43,44)/t25-,27-/m1/s1
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| InChIKey |
MFZGUIPZCOVDSG-XNMGPUDCSA-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