General Information of the Compound
| Compound ID |
CP0717121
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| Compound Name |
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)piperidine
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| Structure |
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| Formula |
C21H23N3
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| Molecular Weight |
317.436
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| Canonical SMILES |
c1ccc(C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1
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| InChI |
InChI=1S/C21H23N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-10,15,17,20H,11-14,16H2
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| InChIKey |
SSEVMIWXQHHFRF-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor