General Information of the Compound
| Compound ID |
CP0484394
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| Compound Name |
CHEMBL4759975
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| Formula |
C26H34ClN3O
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| Molecular Weight |
440.031
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| Canonical SMILES |
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccccc2)CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H34ClN3O/c1-19-18-30(16-14-21-9-10-22(27)17-25(19)21)15-13-20-7-11-24(12-8-20)29-26(31)28-23-5-3-2-4-6-23/h2-6,9-10,17,19-20,24H,7-8,11-16,18H2,1H3,(H2,28,29,31)/t19-,20-,24-/m0/s1
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| InChIKey |
DCIOHCJFMCIMPE-SKPFHBQLSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor