General Information of the Compound
| Compound ID |
CP0380841
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| Compound Name |
1-[2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]ethyl]-3-(3,4,5-trifluorophenyl)iminourea
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| Formula |
C21H23F3N4O
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| Molecular Weight |
404.436
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| Canonical SMILES |
CCCN(CCNC(=O)\N=N\c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C21H23F3N4O/c1-2-8-28(17-10-14-5-3-4-6-15(14)11-17)9-7-25-21(29)27-26-16-12-18(22)20(24)19(23)13-16/h3-6,12-13,17H,2,7-11H2,1H3,(H,25,29)/b27-26+
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| InChIKey |
WWZCKJOSLFFMMU-CYYJNZCTSA-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