General Information of the Compound
| Compound ID |
CP0955486
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((2-isopropyl-4-methoxybenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C36H48N3O11P
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| Molecular Weight |
729.764
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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)cc1C(C)C
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| InChI |
InChI=1S/C36H48N3O11P/c1-7-10-11-12-29(31(8-2)39(22-40)50-36(43)28-14-13-25(47-6)20-30(28)23(4)5)34(41)37-21-38-35(42)33-16-15-32(49-33)24-17-26(48-9-3)19-27(18-24)51(44,45)46/h13-20,22-23,29,31H,7-12,21H2,1-6H3,(H,37,41)(H,38,42)(H2,44,45,46)/t29-,31-/m1/s1
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| InChIKey |
RFHGAZLSDXEWHE-BVRKHOPBSA-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