General Information of the Compound
| Compound ID |
CP0907442
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| Compound Name |
3-(carboxymethoxy)-5-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzoic acid trifluoroacetic acid salt
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| Structure |
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| Formula |
C29H35F3N4O11
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| Molecular Weight |
672.61
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(OCC(=O)O)cc(C(=O)O)c2)n1)[C@@H](CC)N(O)C=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H34N4O9.C2HF3O2/c1-3-5-6-8-20(23(4-2)31(39)16-32)25(35)28-15-29-26(36)22-10-7-9-21(30-22)17-11-18(27(37)38)13-19(12-17)40-14-24(33)34;3-2(4,5)1(6)7/h7,9-13,16,20,23,39H,3-6,8,14-15H2,1-2H3,(H,28,35)(H,29,36)(H,33,34)(H,37,38);(H,6,7)/t20-,23-;/m1./s1
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| InChIKey |
XVTGILJSRKUSHT-KFWGXXPESA-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