General Information of the Compound
| Compound ID |
CP0880549
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| Compound Name |
(3-ethoxy-5-(5-((((2R)-2-((R)-1-(N((phosphonooxy)methoxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C26H39N3O13P2
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| Molecular Weight |
663.554
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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)OCOP(=O)(O)O
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| InChI |
InChI=1S/C26H39N3O13P2/c1-4-7-8-9-21(22(5-2)29(16-30)40-17-41-44(36,37)38)25(31)27-15-28-26(32)24-11-10-23(42-24)18-12-19(39-6-3)14-20(13-18)43(33,34)35/h10-14,16,21-22H,4-9,15,17H2,1-3H3,(H,27,31)(H,28,32)(H2,33,34,35)(H2,36,37,38)/t21-,22-/m1/s1
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| InChIKey |
GFLPXFZFLBLUCR-FGZHOGPDSA-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