General Information of the Compound
| Compound ID |
CP0432153
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| Compound Name |
CHEMBL3970746
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| Formula |
C24H29N5O4S
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| Molecular Weight |
483.594
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| Canonical SMILES |
[O-][N+](=O)c1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1
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| InChI |
InChI=1S/C24H29N5O4S/c30-24(21-2-1-15-33-21)25-18-5-3-17(4-6-18)9-10-27-11-13-28(14-12-27)23-20-8-7-19(29(31)32)16-22(20)34-26-23/h1-2,7-8,15-18H,3-6,9-14H2,(H,25,30)/t17-,18-
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| InChIKey |
SVQJCNSOIUXANV-IYARVYRRSA-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