General Information of the Compound
| Compound ID |
CP0376123
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| Compound Name |
1-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(3,4,5-trifluorophenyl)iminourea
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| Formula |
C23H27F3N4O
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| Molecular Weight |
432.49
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| Canonical SMILES |
CCCN(CCCCNC(=O)\N=N\c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C23H27F3N4O/c1-2-10-30(19-12-16-7-3-4-8-17(16)13-19)11-6-5-9-27-23(31)29-28-18-14-20(24)22(26)21(25)15-18/h3-4,7-8,14-15,19H,2,5-6,9-13H2,1H3,(H,27,31)/b29-28+
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| InChIKey |
JZRSBDBOBRIPIA-ZQHSETAFSA-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