General Information of the Compound
| Compound ID |
CP0634679
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| Compound Name |
7-(3-(benzyl(2-(pyridin-3-yl)ethyl)amino)propoxy)-1-ethyl-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 |
C31H38N4O3
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| Molecular Weight |
514.67
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3)ccc21
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| InChI |
InChI=1S/C31H38N4O3/c1-5-35-27-15-14-26(21-28(27)33(4)29(36)31(2,3)30(35)37)38-20-10-18-34(23-25-11-7-6-8-12-25)19-16-24-13-9-17-32-22-24/h6-9,11-15,17,21-22H,5,10,16,18-20,23H2,1-4H3
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| InChIKey |
NYSHIPDVLVFILL-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