General Information of the Compound
| Compound ID |
CP0505583
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| Compound Name |
1,1-Dibutyl-6-chloro-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 |
C28H33ClN4
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| Molecular Weight |
461.053
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| Canonical SMILES |
CCCCC1(CCCC)NC(Cc2c1[nH]c1ccc(Cl)cc21)c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C28H33ClN4/c1-3-5-14-28(15-6-4-2)26-22(21-16-20(29)12-13-23(21)31-26)17-24(33-28)27-30-18-25(32-27)19-10-8-7-9-11-19/h7-13,16,18,24,31,33H,3-6,14-15,17H2,1-2H3,(H,30,32)
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| InChIKey |
DBLQQFZKWOTGKW-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