General Information of the Compound
| Compound ID |
CP0902573
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| Compound Name |
(S)-2-(4-(5-((((2R,3R)-2-(2,4-difluorophenethyl)-3-(N-hydroxyformamido)pentanamido)methyl)carbamoyl)furan-2-yl)-2-ethoxybenzamido)succinic 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(-c2ccc(C(=O)NCNC(=O)[C@H](CCc3ccc(F)cc3F)[C@@H](CC)N(O)C=O)o2)ccc1C(=O)N[C@@H](CC(=O)O)C(=O)O
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| InChI |
InChI=1S/C33H36F2N4O11/c1-3-25(39(48)17-40)21(9-6-18-5-8-20(34)14-23(18)35)30(43)36-16-37-32(45)27-12-11-26(50-27)19-7-10-22(28(13-19)49-4-2)31(44)38-24(33(46)47)15-29(41)42/h5,7-8,10-14,17,21,24-25,48H,3-4,6,9,15-16H2,1-2H3,(H,36,43)(H,37,45)(H,38,44)(H,41,42)(H,46,47)/t21-,24+,25-/m1/s1
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| InChIKey |
OOYCZSDPTUAUHM-IEZKXTBUSA-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