General Information of the Compound
| Compound ID |
CP0451956
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| Compound Name |
N-[[2-[5-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methyl]-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine;hydrochloride
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| Structure |
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| Formula |
C24H29ClF2N4OS
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| Molecular Weight |
495.039
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| Canonical SMILES |
Cl.Cn1c(SCCCNCC2CC2c2cc(F)ccc2OCCF)nnc1-c1ccccc1
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| InChI |
InChI=1S/C24H28F2N4OS.ClH/c1-30-23(17-6-3-2-4-7-17)28-29-24(30)32-13-5-11-27-16-18-14-20(18)21-15-19(26)8-9-22(21)31-12-10-25;/h2-4,6-9,15,18,20,27H,5,10-14,16H2,1H3;1H
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| InChIKey |
JFPQLMHSAZGNCS-UHFFFAOYSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor