General Information of the Compound
| Compound ID |
CP0572822
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| Compound Name |
2-ethyl-5,7-dimethyl-3-[[2-[1-(2H-tetrazol-5-yl)ethyl]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C29H31N7
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| Molecular Weight |
477.616
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| Canonical SMILES |
CCc1nc2c(C)cc(C)nc2n1Cc1ccc2C(C(C)c3nn[nH]n3)c3ccccc3CCc2c1
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| InChI |
InChI=1S/C29H31N7/c1-5-25-31-27-17(2)14-18(3)30-29(27)36(25)16-20-10-13-24-22(15-20)12-11-21-8-6-7-9-23(21)26(24)19(4)28-32-34-35-33-28/h6-10,13-15,19,26H,5,11-12,16H2,1-4H3,(H,32,33,34,35)
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| InChIKey |
XMUYVBKMRNFDDP-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