General Information of the Compound
| Compound ID |
CP0958454
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| Compound Name |
2,2'-((3-(5-((((2R,3R)-2-(2,4-difluorophenethyl)-3-(N-hydroxyformamido)pentanamido)methyl)carbamoyl)furan-2-yl)-5-ethoxybenzoyl)azanediyl)diacetic acid
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| Structure |
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| Formula |
C33H36F2N4O11
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| Molecular Weight |
702.664
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| Canonical SMILES |
CCOc1cc(C(=O)N(CC(=O)O)CC(=O)O)cc(-c2ccc(C(=O)NCNC(=O)[C@H](CCc3ccc(F)cc3F)[C@@H](CC)N(O)C=O)o2)c1
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| InChI |
InChI=1S/C33H36F2N4O11/c1-3-26(39(48)18-40)24(8-6-19-5-7-22(34)14-25(19)35)31(45)36-17-37-32(46)28-10-9-27(50-28)20-11-21(13-23(12-20)49-4-2)33(47)38(15-29(41)42)16-30(43)44/h5,7,9-14,18,24,26,48H,3-4,6,8,15-17H2,1-2H3,(H,36,45)(H,37,46)(H,41,42)(H,43,44)/t24-,26-/m1/s1
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| InChIKey |
GKBOXHJWFVZMHR-AOYPEHQESA-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