General Information of the Compound
| Compound ID |
CP0857552
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| Compound Name |
Ethyl6-((1S,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)picolinate
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| Structure |
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| Formula |
C32H28FN7O2
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| Molecular Weight |
561.621
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| Canonical SMILES |
CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1
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| InChI |
InChI=1S/C32H28FN7O2/c1-3-42-31(41)25-9-6-10-28(36-25)32(20-16-35-40(2)18-20)29-23(22-7-4-5-8-24(22)37-29)15-26(39-32)30-34-17-27(38-30)19-11-13-21(33)14-12-19/h4-14,16-18,26,37,39H,3,15H2,1-2H3,(H,34,38)/t26-,32+/m1/s1
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| InChIKey |
SEOMUFTWAUVWQZ-DICHSLLOSA-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: PT04719, Somatostatin receptor type 3
Protein ID: PT01693, Somatostatin receptor type 3