General Information of the Compound
| Compound ID |
CP0452268
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| Compound Name |
1-[4-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C27H29N5O
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| Molecular Weight |
439.563
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C27H29N5O/c1-17(33)32-13-11-19(12-14-32)25-26-21(20-9-5-6-10-22(20)29-26)15-23(30-25)27-28-16-24(31-27)18-7-3-2-4-8-18/h2-10,16,19,23,25,29-30H,11-15H2,1H3,(H,28,31)/t23-,25?/m1/s1
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| InChIKey |
LWTCFFYHTFIAEA-XQZUBTRRSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01693, Somatostatin receptor type 3