General Information of the Compound
| Compound ID |
CP0637956
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| Compound Name |
4-(((3-(1-ethyl-3,3,5-trimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-7-yloxy)propyl)(2-(7-oxofuro[2,3-c]pyridin-6(7H)-yl)ethyl)amino)methyl)benzonitrile
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| Structure |
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| Formula |
C34H37N5O5
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| Molecular Weight |
595.7
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| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccc(C#N)cc3)ccc21
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| InChI |
InChI=1S/C34H37N5O5/c1-5-39-28-12-11-27(21-29(28)36(4)32(41)34(2,3)33(39)42)43-19-6-15-37(23-25-9-7-24(22-35)8-10-25)17-18-38-16-13-26-14-20-44-30(26)31(38)40/h7-14,16,20-21H,5-6,15,17-19,23H2,1-4H3
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| InChIKey |
UVMFWOKHXJEFRH-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