General Information of the Compound
| Compound ID |
CP0947236
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| Compound Name |
(3-ethoxy-3'-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)-[1,1'-biphenyl]-4-yl)phosphonic acid
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| Structure |
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| Formula |
C27H38N3O8P
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| Molecular Weight |
563.588
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(P(=O)(O)O)c(OCC)c2)c1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C27H38N3O8P/c1-4-7-8-12-22(23(5-2)30(34)18-31)27(33)29-17-28-26(32)21-11-9-10-19(15-21)20-13-14-25(39(35,36)37)24(16-20)38-6-3/h9-11,13-16,18,22-23,34H,4-8,12,17H2,1-3H3,(H,28,32)(H,29,33)(H2,35,36,37)/t22-,23-/m1/s1
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| InChIKey |
QKGAJYRKHWRULS-DHIUTWEWSA-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