General Information of the Compound
| Compound ID |
CP0517451
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| Compound Name |
CHEMBL3959698
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| Formula |
C24H30N4O2S
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| Molecular Weight |
438.597
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| Canonical SMILES |
O=C(NC[C@H]1CC[C@H](CN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
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| InChI |
InChI=1S/C24H30N4O2S/c29-24(21-5-3-15-30-21)25-16-18-7-9-19(10-8-18)17-27-11-13-28(14-12-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,15,18-19H,7-14,16-17H2,(H,25,29)/t18-,19-
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| InChIKey |
UXEHMYRJTUKZNV-WGSAOQKQSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor