General Information of the Compound
| Compound ID |
CP0431302
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| Compound Name |
1-(3,4-difluorophenyl)imino-3-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]urea
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| Formula |
C21H24F2N4O
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| Molecular Weight |
386.446
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| Canonical SMILES |
CCCN(CCNC(=O)\N=N\c1ccc(F)c(F)c1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C21H24F2N4O/c1-2-10-27(18-12-15-5-3-4-6-16(15)13-18)11-9-24-21(28)26-25-17-7-8-19(22)20(23)14-17/h3-8,14,18H,2,9-13H2,1H3,(H,24,28)/b26-25+
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| InChIKey |
WOOHCDFWINCKHH-OCEACIFDSA-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