General Information of the Compound
| Compound ID |
CP0425323
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| Compound Name |
6-Methyl-1,1-dipentyl-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 |
C31H40N4
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| Molecular Weight |
468.689
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| Canonical SMILES |
CCCCCC1(CCCCC)NC(Cc2c1[nH]c1ccc(C)cc21)c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C31H40N4/c1-4-6-11-17-31(18-12-7-5-2)29-25(24-19-22(3)15-16-26(24)33-29)20-27(35-31)30-32-21-28(34-30)23-13-9-8-10-14-23/h8-10,13-16,19,21,27,33,35H,4-7,11-12,17-18,20H2,1-3H3,(H,32,34)
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| InChIKey |
UNVJHXJVNFPUCI-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