General Information of the Compound
| Compound ID |
CP0423539
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| Compound Name |
4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)-2H-chromen-7-yl]benzamide
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| Structure |
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| Formula |
C27H25FN2O2
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| Molecular Weight |
428.507
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)COc2c1
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| InChI |
InChI=1S/C27H25FN2O2/c28-24-10-7-21(8-11-24)20-3-5-22(6-4-20)27(31)29-25-12-9-23-15-19(18-32-26(23)16-25)17-30-13-1-2-14-30/h3-12,15-16H,1-2,13-14,17-18H2,(H,29,31)
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| InChIKey |
YIKZESIGFJDKFD-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01027, Melanin-concentrating hormone receptor 1