General Information of the Compound
| Compound ID |
CP0117807
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| Compound Name |
4-[4-[1-[4-[1-(6-aminohexyl)triazol-4-yl]butyl]piperidin-4-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C41H46F3N5O2
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| Molecular Weight |
697.846
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| Canonical SMILES |
NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
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| InChI |
InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)
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| InChIKey |
UFIMBHYPDHTMKA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01026, Sodium-dependent noradrenaline transporter