General Information of the Compound
| Compound ID |
CP0486725
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| Compound Name |
CHEMBL4750939
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| Formula |
C23H36ClN3O
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| Molecular Weight |
406.014
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| Canonical SMILES |
CCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(Cl)cc3[C@@H](C)C2)CC1
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| InChI |
InChI=1S/C23H36ClN3O/c1-4-26(3)23(28)25-21-9-5-18(6-10-21)11-13-27-14-12-19-7-8-20(24)15-22(19)17(2)16-27/h7-8,15,17-18,21H,4-6,9-14,16H2,1-3H3,(H,25,28)/t17-,18-,21-/m0/s1
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| InChIKey |
HXHYBBJDNMJVBF-WFXMLNOXSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor