General Information of the Compound
Compound ID |
CP0905490
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Compound Name |
5-ethoxy-3'-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)-[1,1'-biphenyl]-3-sulfonic acid
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Structure |
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Formula |
C27H37N3O8S
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Molecular Weight |
563.673
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Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(OCC)cc(S(=O)(=O)O)c2)c1)[C@@H](CC)N(O)C=O
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InChI |
InChI=1S/C27H37N3O8S/c1-4-7-8-12-24(25(5-2)30(34)18-31)27(33)29-17-28-26(32)20-11-9-10-19(13-20)21-14-22(38-6-3)16-23(15-21)39(35,36)37/h9-11,13-16,18,24-25,34H,4-8,12,17H2,1-3H3,(H,28,32)(H,29,33)(H,35,36,37)/t24-,25-/m1/s1
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InChIKey |
DZYZONWMNGRQTN-JWQCQUIFSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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