General Information of the Compound
| Compound ID |
CP0902938
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| Compound Name |
N-((6R,7R)-6-ethyl-5-formyl-3,8-dioxo-7-pentyl-2,4-dioxa-5,9-diazadecan-10-yl)-5-phenylfuran-2-carboxamide
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| Structure |
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| Formula |
C25H33N3O7
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| Molecular Weight |
487.553
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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
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| InChI |
InChI=1S/C25H33N3O7/c1-4-6-8-13-19(20(5-2)28(17-29)35-25(32)33-3)23(30)26-16-27-24(31)22-15-14-21(34-22)18-11-9-7-10-12-18/h7,9-12,14-15,17,19-20H,4-6,8,13,16H2,1-3H3,(H,26,30)(H,27,31)/t19-,20-/m1/s1
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| InChIKey |
AEGJWPIFOVCRQK-WOJBJXKFSA-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