General Information of the Compound
| Compound ID |
CP0870039
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| Compound Name |
N-((4R,5R)-5-ethyl-6-formyl-10,10-dimethyl-3,8-dioxo-4-pentyl-7,9-dioxa-2,6-diazaundecyl)-5-phenylfuran-2-carboxamide
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| Structure |
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| Formula |
C28H39N3O7
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| Molecular Weight |
529.634
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccccc2)o1)[C@@H](CC)N(C=O)OC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C28H39N3O7/c1-6-8-10-15-21(22(7-2)31(19-32)38-27(35)37-28(3,4)5)25(33)29-18-30-26(34)24-17-16-23(36-24)20-13-11-9-12-14-20/h9,11-14,16-17,19,21-22H,6-8,10,15,18H2,1-5H3,(H,29,33)(H,30,34)/t21-,22-/m1/s1
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| InChIKey |
KQFFYSQAPWYUKD-FGZHOGPDSA-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