General Information of the Compound
| Compound ID |
CP0636064
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| Compound Name |
1-ethyl-3,3,5-trimethyl-7-(3-((2-methylbenzyl)(2-(7-oxofuro[2,3-c]pyridin-6(7H)-yl)ethyl)amino)propoxy)-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C34H40N4O5
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| Molecular Weight |
584.717
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccccc3C)ccc21
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| InChI |
InChI=1S/C34H40N4O5/c1-6-38-28-13-12-27(22-29(28)35(5)32(40)34(3,4)33(38)41)42-20-9-16-36(23-26-11-8-7-10-24(26)2)18-19-37-17-14-25-15-21-43-30(25)31(37)39/h7-8,10-15,17,21-22H,6,9,16,18-20,23H2,1-5H3
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| InChIKey |
PZCYDKAVVVBKMA-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