General Information of the Compound
| Compound ID |
CP0421008
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| Compound Name |
5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide
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| Structure |
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| Formula |
C26H30FN3O
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| Molecular Weight |
419.544
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| Canonical SMILES |
Cc1c(NC(=O)CCCCc2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
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| InChI |
InChI=1S/C26H30FN3O/c1-19-24(29-25(31)7-3-2-6-20-8-11-23(27)12-9-20)13-10-22-16-21(17-28-26(19)22)18-30-14-4-5-15-30/h8-13,16-17H,2-7,14-15,18H2,1H3,(H,29,31)
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| InChIKey |
USBRYOLVHLYFPX-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: PT01388, Melanin-concentrating hormone receptor 1