General Information of the Compound
| Compound ID |
CP0638564
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| Compound Name |
1-ethyl-7-(3-((furan-2-ylmethyl)(2-(1-oxoisoquinolin-2(1H)-yl)ethyl)amino)propoxy)-3,3,5-trimethyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C33H38N4O5
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| Molecular Weight |
570.69
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccco3)ccc21
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| InChI |
InChI=1S/C33H38N4O5/c1-5-37-28-14-13-25(22-29(28)34(4)31(39)33(2,3)32(37)40)41-21-9-16-35(23-26-11-8-20-42-26)18-19-36-17-15-24-10-6-7-12-27(24)30(36)38/h6-8,10-15,17,20,22H,5,9,16,18-19,21,23H2,1-4H3
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| InChIKey |
BORCZNYMAGQEGS-UHFFFAOYSA-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