General Information of the Compound
| Compound ID |
CP0400546
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| Compound Name |
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C33H47N5O3
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| Molecular Weight |
561.771
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| Canonical SMILES |
CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)C2Cc3ccccc3C2)nn1
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| InChI |
InChI=1S/C33H47N5O3/c1-4-6-20-38-25-29(35-36-38)14-11-21-41-31-16-15-28(24-32(31)40-3)33(39)34-17-9-10-19-37(18-5-2)30-22-26-12-7-8-13-27(26)23-30/h7-8,12-13,15-16,24-25,30H,4-6,9-11,14,17-23H2,1-3H3,(H,34,39)
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| InChIKey |
SHGYUZFUKMSIQE-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor