General Information of the Compound
| Compound ID |
CP0948198
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| Compound Name |
dimethyl (3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonate
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| Structure |
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| Formula |
C27H40N3O9P
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| Molecular Weight |
581.603
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(OC)OC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C27H40N3O9P/c1-6-9-10-11-22(23(7-2)30(34)18-31)26(32)28-17-29-27(33)25-13-12-24(39-25)19-14-20(38-8-3)16-21(15-19)40(35,36-4)37-5/h12-16,18,22-23,34H,6-11,17H2,1-5H3,(H,28,32)(H,29,33)/t22-,23-/m1/s1
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| InChIKey |
PEQCDRIPQUSLQV-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