General Information of the Compound
| Compound ID |
CP0441730
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| Compound Name |
1-[2-(1H-indol-3-yl)ethyl]-3-phenyl-2-piperidinone
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
O=C1C(CCCN1CCc1c[nH]c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C21H22N2O/c24-21-19(16-7-2-1-3-8-16)10-6-13-23(21)14-12-17-15-22-20-11-5-4-9-18(17)20/h1-5,7-9,11,15,19,22H,6,10,12-14H2
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| InChIKey |
BHZIBLVRNQOXJN-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor