General Information of the Compound
| Compound ID |
CP0956961
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((4-methoxybenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C33H42N3O11P
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| Molecular Weight |
687.683
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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(OC)cc1
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| InChI |
InChI=1S/C33H42N3O11P/c1-5-8-9-10-27(28(6-2)36(21-37)47-33(40)22-11-13-24(44-4)14-12-22)31(38)34-20-35-32(39)30-16-15-29(46-30)23-17-25(45-7-3)19-26(18-23)48(41,42)43/h11-19,21,27-28H,5-10,20H2,1-4H3,(H,34,38)(H,35,39)(H2,41,42,43)/t27-,28-/m1/s1
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| InChIKey |
SBLPGWRSZVZIOJ-VSGBNLITSA-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