General Information of the Compound
| Compound ID |
CP0902600
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| Compound Name |
5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-methylbenzoic acid
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| Structure |
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| Formula |
C25H33N3O7
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| Molecular Weight |
487.553
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C)c(C(=O)O)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C25H33N3O7/c1-4-6-7-8-18(20(5-2)28(34)15-29)23(30)26-14-27-24(31)22-12-11-21(35-22)17-10-9-16(3)19(13-17)25(32)33/h9-13,15,18,20,34H,4-8,14H2,1-3H3,(H,26,30)(H,27,31)(H,32,33)/t18-,20-/m1/s1
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| InChIKey |
HOSZYAKZPYGGQV-UYAOXDASSA-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