General Information of the Compound
| Compound ID |
CP0849099
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| Compound Name |
6-((1R,3R)-3-(4-(4-fluorophenyl)-1H-imidazol-2-yl)-1-(1-methyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)picolinicacid
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| Structure |
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| Formula |
C30H24FN7O2
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| Molecular Weight |
533.567
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| Canonical SMILES |
Cn1cc([C@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C30H24FN7O2/c1-38-16-18(14-33-38)30(26-8-4-7-23(34-26)29(39)40)27-21(20-5-2-3-6-22(20)35-27)13-24(37-30)28-32-15-25(36-28)17-9-11-19(31)12-10-17/h2-12,14-16,24,35,37H,13H2,1H3,(H,32,36)(H,39,40)/t24-,30-/m1/s1
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| InChIKey |
SJPXJRVMKATQCT-AYWVHJORSA-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: PT01693, Somatostatin receptor type 3
Protein ID: PT04719, Somatostatin receptor type 3