General Information of the Compound
| Compound ID |
CP0399642
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| Compound Name |
6-[4-(2-phenylphenyl)piperazin-1-yl]-1-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]hexan-1-one
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| Structure |
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| Formula |
C32H44N4O2
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| Molecular Weight |
516.73
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| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1
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| InChI |
InChI=1S/C32H44N4O2/c37-31(36-22-12-17-30(36)32(38)35-20-10-3-11-21-35)18-6-2-9-19-33-23-25-34(26-24-33)29-16-8-7-15-28(29)27-13-4-1-5-14-27/h1,4-5,7-8,13-16,30H,2-3,6,9-12,17-26H2/t30-/m0/s1
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| InChIKey |
OUGQNTQVGGYIQX-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