General Information of the Compound
| Compound ID |
CP0468980
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| Compound Name |
(2S)-1-[7-[4-(2-phenylphenyl)piperazin-1-yl]heptanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H38N4O2
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| Molecular Weight |
462.638
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C28H38N4O2/c29-28(34)26-15-10-18-32(26)27(33)16-6-1-2-9-17-30-19-21-31(22-20-30)25-14-8-7-13-24(25)23-11-4-3-5-12-23/h3-5,7-8,11-14,26H,1-2,6,9-10,15-22H2,(H2,29,34)/t26-/m0/s1
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| InChIKey |
MMYZQFPSAFCUPV-SANMLTNESA-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