General Information of the Compound
| Compound ID |
CP0410885
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| Compound Name |
1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-7-[4-(2-phenylphenyl)piperazin-1-yl]heptan-1-one
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| Structure |
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| Formula |
C32H44N4O3
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| Molecular Weight |
532.729
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| Canonical SMILES |
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C32H44N4O3/c37-31(36-18-10-15-30(36)32(38)35-23-25-39-26-24-35)16-6-1-2-9-17-33-19-21-34(22-20-33)29-14-8-7-13-28(29)27-11-4-3-5-12-27/h3-5,7-8,11-14,30H,1-2,6,9-10,15-26H2/t30-/m0/s1
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| InChIKey |
JIGXZCWHGSVDQG-PMERELPUSA-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