General Information of the Compound
| Compound ID |
CP0376749
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| Compound Name |
N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C36H48N4O3
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| Molecular Weight |
584.805
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| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(OCCCN2CCOCC2)cc1
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| InChI |
InChI=1S/C36H48N4O3/c41-36(37-30-31-15-17-33(18-16-31)43-27-9-20-39-25-28-42-29-26-39)14-5-2-8-19-38-21-23-40(24-22-38)35-13-7-6-12-34(35)32-10-3-1-4-11-32/h1,3-4,6-7,10-13,15-18H,2,5,8-9,14,19-30H2,(H,37,41)
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| InChIKey |
HCQHYAXNIILCGJ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor