General Information of the Compound
| Compound ID |
CP0391293
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| Compound Name |
5-[(2S)-2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyrrolidin-1-yl]sulfonylquinoline
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| Structure |
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| Formula |
C27H31N5O2S
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| Molecular Weight |
489.645
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| Canonical SMILES |
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cccc2ncccc12
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| InChI |
InChI=1S/C27H31N5O2S/c33-35(34,27-10-2-8-25-23(27)6-3-13-28-25)32-15-4-5-21(32)12-16-30-17-19-31(20-18-30)26-9-1-7-24-22(26)11-14-29-24/h1-3,6-11,13-14,21,29H,4-5,12,15-20H2/t21-/m0/s1
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| InChIKey |
XTHNKXHWYMMNTD-NRFANRHFSA-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
Protein ID: PT01005, D(2) dopamine receptor