General Information of the Compound
| Compound ID |
CP0198450
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| Compound Name |
1-[5,5-bis(4-fluorophenyl)pentyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
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| Structure |
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| Formula |
C29H29ClF5NO
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| Molecular Weight |
538
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| Canonical SMILES |
OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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| InChIKey |
QBWLTDPVSJCLIE-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell Viability or Cytotoxicity Assay