General Information of the Compound
| Compound ID |
CP0388196
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| Compound Name |
N-[(4-methoxyphenyl)methyl]-6-[4-(2-pyridin-4-ylpyridin-3-yl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C28H35N5O2
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| Molecular Weight |
473.621
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| Canonical SMILES |
COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2cccnc2-c2ccncc2)cc1
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| InChI |
InChI=1S/C28H35N5O2/c1-35-25-10-8-23(9-11-25)22-31-27(34)7-3-2-4-17-32-18-20-33(21-19-32)26-6-5-14-30-28(26)24-12-15-29-16-13-24/h5-6,8-16H,2-4,7,17-22H2,1H3,(H,31,34)
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| InChIKey |
JUOUUULXTYQMPT-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7