General Information of the Compound
| Compound ID |
CP0396072
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| Compound Name |
5-[(2S)-2-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidin-1-yl]sulfonylquinoline
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| Structure |
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| Formula |
C28H29ClN4O2S
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| Molecular Weight |
521.086
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| Canonical SMILES |
Clc1ccc2[nH]cc(C3=CCN(CC[C@@H]4CCCN4S(=O)(=O)c4cccc5ncccc45)CC3)c2c1
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| InChI |
InChI=1S/C28H29ClN4O2S/c29-21-8-9-27-24(18-21)25(19-31-27)20-10-15-32(16-11-20)17-12-22-4-3-14-33(22)36(34,35)28-7-1-6-26-23(28)5-2-13-30-26/h1-2,5-10,13,18-19,22,31H,3-4,11-12,14-17H2/t22-/m0/s1
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| InChIKey |
STSNDGBQWCJPOF-QFIPXVFZSA-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