General Information of the Compound
| Compound ID |
CP0901495
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| Compound Name |
5-(carboxy methoxy}-3-(5-((((2R,3R)-2-(2,4-difluorophenethyl)-3-(N-hydroxyformamido)pentanamido)methyl)carbamoyl)furan-2-yl)-2-hydroxybenzoic acid
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| Structure |
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| Formula |
C29H29F2N3O11
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| Molecular Weight |
633.557
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| Canonical SMILES |
CC[C@H]([C@@H](CCc1ccc(F)cc1F)C(=O)NCNC(=O)c1ccc(-c2cc(OCC(=O)O)cc(C(=O)O)c2O)o1)N(O)C=O
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| InChI |
InChI=1S/C29H29F2N3O11/c1-2-22(34(43)14-35)18(6-4-15-3-5-16(30)9-21(15)31)27(39)32-13-33-28(40)24-8-7-23(45-24)19-10-17(44-12-25(36)37)11-20(26(19)38)29(41)42/h3,5,7-11,14,18,22,38,43H,2,4,6,12-13H2,1H3,(H,32,39)(H,33,40)(H,36,37)(H,41,42)/t18-,22-/m1/s1
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| InChIKey |
HZDCKFHPPHWBDK-XMSQKQJNSA-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