General Information of the Compound
| Compound ID |
CP0849848
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| Compound Name |
1,1-Dihexyl-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 |
C32H42N4
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| Molecular Weight |
482.716
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| Canonical SMILES |
CCCCCCC1(CCCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C32H42N4/c1-3-5-7-14-20-32(21-15-8-6-4-2)30-26(25-18-12-13-19-27(25)34-30)22-28(36-32)31-33-23-29(35-31)24-16-10-9-11-17-24/h9-13,16-19,23,28,34,36H,3-8,14-15,20-22H2,1-2H3,(H,33,35)/t28-/m0/s1
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| InChIKey |
RNFAGEHOUTWLCQ-NDEPHWFRSA-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