General Information of the Compound
| Compound ID |
CP0188530
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| Compound Name |
6-(4-chlorophenyl)-3-[6-(4-hydroxypiperidin-1-yl)pyridin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C22H20ClN5O2
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| Molecular Weight |
421.888
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| Canonical SMILES |
OC1CCN(CC1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20ClN5O2/c23-17-3-1-15(2-4-17)16-11-20-22(30)27(14-25-28(20)13-16)18-5-6-21(24-12-18)26-9-7-19(29)8-10-26/h1-6,11-14,19,29H,7-10H2
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| InChIKey |
GFGHQEWOLXQMRD-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2