General Information of the Compound
| Compound ID |
CP0382046
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| Compound Name |
1-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(4-fluorophenyl)iminourea
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| Formula |
C23H29FN4O
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| Molecular Weight |
396.51
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| Canonical SMILES |
CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+
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| InChIKey |
VLVNADWTXMPIOQ-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