General Information of the Compound
| Compound ID |
CP0434162
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| Compound Name |
1H-indol-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
O=C(N1CCN(CCOc2ccccc2)CC1)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C21H23N3O2/c25-21(20-16-17-6-4-5-9-19(17)22-20)24-12-10-23(11-13-24)14-15-26-18-7-2-1-3-8-18/h1-9,16,22H,10-15H2
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| InChIKey |
QBCMAEWHGOHJTN-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