General Information of the Compound
| Compound ID |
CP0875173
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| Compound Name |
1-Pentyl-3-(4-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
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| Structure |
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| Formula |
C25H28N4
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| Molecular Weight |
384.527
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| Canonical SMILES |
CCCCCC1N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C25H28N4/c1-2-3-5-14-21-24-19(18-12-8-9-13-20(18)28-24)15-22(27-21)25-26-16-23(29-25)17-10-6-4-7-11-17/h4,6-13,16,21-22,27-28H,2-3,5,14-15H2,1H3,(H,26,29)/t21?,22-/m0/s1
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| InChIKey |
IPCFJCFLTMBTHE-KEKNWZKVSA-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