General Information of the Compound
| Compound ID |
CP0869061
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| Compound Name |
5-(8-Acetyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-2-(((2,3-dihydrobenzofuran-6-yl)methyl)amino)-N-(2-phenoxyethyl)nicotinamide
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| Structure |
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| Formula |
C33H36N4O4
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| Molecular Weight |
552.675
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| Canonical SMILES |
CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2
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| InChI |
InChI=1S/C33H36N4O4/c1-22(38)37-21-24-8-10-28(37)17-26(15-24)27-18-30(33(39)34-12-14-40-29-5-3-2-4-6-29)32(36-20-27)35-19-23-7-9-25-11-13-41-31(25)16-23/h2-7,9,15-16,18,20,24,28H,8,10-14,17,19,21H2,1H3,(H,34,39)(H,35,36)/t24-,28+/m0/s1
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| InChIKey |
BNTSNMJYSXZFFU-RBJSKKJNSA-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