General Information of the Compound
| Compound ID |
CP0407446
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| Compound Name |
CHEMBL3938210
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| Formula |
C24H31N5OS
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| Molecular Weight |
437.613
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1
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| InChI |
InChI=1S/C24H31N5OS/c30-24(21-5-3-12-25-21)26-19-9-7-18(8-10-19)11-13-28-14-16-29(17-15-28)23-20-4-1-2-6-22(20)31-27-23/h1-6,12,18-19,25H,7-11,13-17H2,(H,26,30)/t18-,19-
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| InChIKey |
LCZMXKRXXCYHBB-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