General Information of the Compound
| Compound ID |
CP0638357
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| Compound Name |
1-ethyl-3,3,5-trimethyl-7-(3-((2-(7-oxofuro[2,3-c]pyridin-6(7H)-yl)ethyl)(thiophen-2-ylmethyl)amino)propoxy)-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C31H36N4O5S
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| Molecular Weight |
576.719
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3cccs3)ccc21
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| InChI |
InChI=1S/C31H36N4O5S/c1-5-35-25-10-9-23(20-26(25)32(4)29(37)31(2,3)30(35)38)39-17-7-13-33(21-24-8-6-19-41-24)15-16-34-14-11-22-12-18-40-27(22)28(34)36/h6,8-12,14,18-20H,5,7,13,15-17,21H2,1-4H3
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| InChIKey |
QEBMMPNMOSIUKC-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