General Information of the Compound
| Compound ID |
CP0883800
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| Compound Name |
N-(((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)-3'-mercapto-[1,1'-biphenyl]-3-carboxamide
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| Structure |
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| Formula |
C25H33N3O4S
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| Molecular Weight |
471.623
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cccc(S)c2)c1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C25H33N3O4S/c1-3-5-6-13-22(23(4-2)28(32)17-29)25(31)27-16-26-24(30)20-11-7-9-18(14-20)19-10-8-12-21(33)15-19/h7-12,14-15,17,22-23,32-33H,3-6,13,16H2,1-2H3,(H,26,30)(H,27,31)/t22-,23-/m1/s1
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| InChIKey |
GIVXBPLHAOSSOJ-DHIUTWEWSA-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