General Information of the Compound
| Compound ID |
CP0377609
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| Compound Name |
6-Benzyloxy-1,1-dibutyl-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 |
C35H40N4O
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| Molecular Weight |
532.732
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| Canonical SMILES |
CCCCC1(CCCC)NC(Cc2c1[nH]c1ccc(OCc3ccccc3)cc21)c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C35H40N4O/c1-3-5-19-35(20-6-4-2)33-29(22-31(39-35)34-36-23-32(38-34)26-15-11-8-12-16-26)28-21-27(17-18-30(28)37-33)40-24-25-13-9-7-10-14-25/h7-18,21,23,31,37,39H,3-6,19-20,22,24H2,1-2H3,(H,36,38)
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| InChIKey |
FDJQARYJQHXLKI-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