General Information of the Compound
| Compound ID |
CP0399640
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| Compound Name |
5-[4-(2-phenylphenyl)piperazin-1-yl]-1-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]pentan-1-one
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| Structure |
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| Formula |
C31H42N4O2
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| Molecular Weight |
502.703
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| Canonical SMILES |
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1
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| InChI |
InChI=1S/C31H42N4O2/c36-30(35-21-11-16-29(35)31(37)34-19-8-2-9-20-34)17-7-10-18-32-22-24-33(25-23-32)28-15-6-5-14-27(28)26-12-3-1-4-13-26/h1,3-6,12-15,29H,2,7-11,16-25H2/t29-/m0/s1
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| InChIKey |
CWYCYSJSUHLIBI-LJAQVGFWSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7