General Information of the Compound
| Compound ID |
CP0530412
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| Compound Name |
CHEMBL4756826
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| Formula |
C23H33ClN2O
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| Molecular Weight |
388.983
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| Canonical SMILES |
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CC2)CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C23H33ClN2O/c1-16-15-26(13-11-18-6-7-20(24)14-22(16)18)12-10-17-2-8-21(9-3-17)25-23(27)19-4-5-19/h6-7,14,16-17,19,21H,2-5,8-13,15H2,1H3,(H,25,27)/t16-,17-,21-/m0/s1
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| InChIKey |
NRCRTBZRIJXRCY-FIKGOQFSSA-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