General Information of the Compound
| Compound ID |
CP0417493
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| Compound Name |
4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
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| Structure |
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| Formula |
C27H25N3O
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| Molecular Weight |
407.517
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| Canonical SMILES |
O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H25N3O/c31-27(23-10-8-22(9-11-23)21-6-2-1-3-7-21)29-25-13-12-24-16-20(18-28-26(24)17-25)19-30-14-4-5-15-30/h1-3,6-13,16-18H,4-5,14-15,19H2,(H,29,31)
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| InChIKey |
CMNAXSCFAFPUGW-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