General Information of the Compound
| Compound ID |
CP0902575
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| Compound Name |
2,2'-((4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzoyl)azanediyl)diacetic acid
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| Structure |
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| Formula |
C28H36N4O10
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| Molecular Weight |
588.614
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N(CC(=O)O)CC(=O)O)cc2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C28H36N4O10/c1-3-5-6-7-20(21(4-2)32(41)17-33)26(38)29-16-30-27(39)23-13-12-22(42-23)18-8-10-19(11-9-18)28(40)31(14-24(34)35)15-25(36)37/h8-13,17,20-21,41H,3-7,14-16H2,1-2H3,(H,29,38)(H,30,39)(H,34,35)(H,36,37)/t20-,21-/m1/s1
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| InChIKey |
HBSZSEDLJNFTLG-NHCUHLMSSA-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