General Information of the Compound
| Compound ID |
CP0439997
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| Compound Name |
[4-[2-(4-chlorophenoxy)propyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C22H24ClN3O2
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| Molecular Weight |
397.906
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| Canonical SMILES |
CC(CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H24ClN3O2/c1-16(28-19-8-6-18(23)7-9-19)15-25-10-12-26(13-11-25)22(27)21-14-17-4-2-3-5-20(17)24-21/h2-9,14,16,24H,10-13,15H2,1H3
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| InChIKey |
CILIRIYREOCHIN-UHFFFAOYSA-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