General Information of the Compound
| Compound ID |
CP0484019
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| Compound Name |
(2S)-1-[7-[4-(2-methylsulfanylphenyl)piperazin-1-yl]heptanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H36N4O2S
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| Molecular Weight |
432.634
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| Canonical SMILES |
CSc1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1
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| InChI |
InChI=1S/C23H36N4O2S/c1-30-21-11-6-5-9-19(21)26-17-15-25(16-18-26)13-7-3-2-4-12-22(28)27-14-8-10-20(27)23(24)29/h5-6,9,11,20H,2-4,7-8,10,12-18H2,1H3,(H2,24,29)/t20-/m0/s1
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| InChIKey |
WBDQJXZGYHWOSO-FQEVSTJZSA-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