General Information of the Compound
| Compound ID |
CP0875192
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| Compound Name |
1,1-Dibutyl-3-(4,5-diphenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
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| Structure |
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| Formula |
C34H38N4
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| Molecular Weight |
502.706
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| Canonical SMILES |
CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)Cc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C34H38N4/c1-3-5-21-34(22-6-4-2)32-27(26-19-13-14-20-28(26)35-32)23-29(38-34)33-36-30(24-15-9-7-10-16-24)31(37-33)25-17-11-8-12-18-25/h7-20,29,35,38H,3-6,21-23H2,1-2H3,(H,36,37)/t29-/m0/s1
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| InChIKey |
XBVCBXJDBCWWOO-LJAQVGFWSA-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