General Information of the Compound
| Compound ID |
CP0388832
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| Compound Name |
1-(3,4-difluorophenyl)imino-3-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]urea
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| Formula |
C23H28F2N4O
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| Molecular Weight |
414.5
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| Canonical SMILES |
CCCN(CCCCNC(=O)\N=N\c1ccc(F)c(F)c1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C23H28F2N4O/c1-2-12-29(20-14-17-7-3-4-8-18(17)15-20)13-6-5-11-26-23(30)28-27-19-9-10-21(24)22(25)16-19/h3-4,7-10,16,20H,2,5-6,11-15H2,1H3,(H,26,30)/b28-27+
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| InChIKey |
OMHCFMMNQAVKBC-BYYHNAKLSA-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