General Information of the Compound
| Compound ID |
CP0635728
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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)(4-(trifluoromethyl)benzyl)amino)propoxy)-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C34H37F3N4O5
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| Molecular Weight |
638.687
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C(F)(F)F)cc3)ccc21
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| InChI |
InChI=1S/C34H37F3N4O5/c1-5-41-27-12-11-26(21-28(27)38(4)31(43)33(2,3)32(41)44)45-19-6-15-39(22-23-7-9-25(10-8-23)34(35,36)37)17-18-40-16-13-24-14-20-46-29(24)30(40)42/h7-14,16,20-21H,5-6,15,17-19,22H2,1-4H3
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| InChIKey |
ALRMPHHZEVRXDO-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