General Information of the Compound
| Compound ID |
CP0887685
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| Compound Name |
(3-ethoxy-5-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)phenyl)phosphonic acid hydrobromide
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| Structure |
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| Formula |
C26H38BrN4O8P
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| Molecular Weight |
645.488
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| Canonical SMILES |
Br.CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(OCC)cc(P(=O)(O)O)c2)n1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C26H37N4O8P.BrH/c1-4-7-8-10-21(24(5-2)30(34)17-31)25(32)27-16-28-26(33)23-12-9-11-22(29-23)18-13-19(38-6-3)15-20(14-18)39(35,36)37;/h9,11-15,17,21,24,34H,4-8,10,16H2,1-3H3,(H,27,32)(H,28,33)(H2,35,36,37);1H/t21-,24-;/m1./s1
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| InChIKey |
LHABJWKWEDYYBK-MBUMRYSBSA-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