General Information of the Compound
| Compound ID |
CP0407444
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| Compound Name |
CHEMBL3900752
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| Formula |
C26H41N5OS
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| Molecular Weight |
471.715
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| Canonical SMILES |
CC(C)N(C(C)C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
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| InChI |
InChI=1S/C26H41N5OS/c1-19(2)31(20(3)4)26(32)27-22-11-9-21(10-12-22)13-14-29-15-17-30(18-16-29)25-23-7-5-6-8-24(23)33-28-25/h5-8,19-22H,9-18H2,1-4H3,(H,27,32)/t21-,22-
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| InChIKey |
XOLGUSIUXDCCCM-HZCBDIJESA-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