General Information of the Compound
| Compound ID |
CP0942345
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| Compound Name |
4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phthalic acid
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| Structure |
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| Formula |
C25H31N3O9
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| Molecular Weight |
517.535
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C25H31N3O9/c1-3-5-6-7-17(19(4-2)28(36)14-29)22(30)26-13-27-23(31)21-11-10-20(37-21)15-8-9-16(24(32)33)18(12-15)25(34)35/h8-12,14,17,19,36H,3-7,13H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H,34,35)/t17-,19-/m1/s1
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| InChIKey |
VTDLARPPPLYXCN-IEBWSBKVSA-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