General Information of the Compound
| Compound ID |
CP0416963
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| Compound Name |
4-methyl-3-phenyl-5-propylsulfanyl-1,2,4-triazole
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| Structure |
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| Formula |
C12H15N3S
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| Molecular Weight |
233.34
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| Canonical SMILES |
CCCSc1nnc(-c2ccccc2)n1C
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| InChI |
InChI=1S/C12H15N3S/c1-3-9-16-12-14-13-11(15(12)2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
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| InChIKey |
CBFQPELWTJSDFA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor