General Information of the Compound
| Compound ID |
CP0849672
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| Compound Name |
1-Cyclohexyl-1-methyl-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 |
C27H30N4
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| Molecular Weight |
410.565
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| Canonical SMILES |
CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C27H30N4/c1-27(19-12-6-3-7-13-19)25-21(20-14-8-9-15-22(20)29-25)16-23(31-27)26-28-17-24(30-26)18-10-4-2-5-11-18/h2,4-5,8-11,14-15,17,19,23,29,31H,3,6-7,12-13,16H2,1H3,(H,28,30)/t23-,27?/m0/s1
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| InChIKey |
VOSXUKXXGOUBDV-DCCUJTHKSA-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
Protein ID: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5