General Information of the Compound
| Compound ID |
CP0386244
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| Compound Name |
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[[(2R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C34H49N5O4
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| Molecular Weight |
591.797
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| Canonical SMILES |
CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2CCc3c(O)cccc3C2)nn1
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| InChI |
InChI=1S/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/m1/s1
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| InChIKey |
OVKBSFKFSBQCLW-GDLZYMKVSA-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: PT00825, 5-hydroxytryptamine receptor 2A
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: PT01161, D(4) dopamine receptor