General Information of the Compound
| Compound ID |
CP0042189
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| Compound Name |
N-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1-phenylbicyclo[3.1.0]hexan-3-amine
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| Structure |
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| Formula |
C22H27N5OS
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| Molecular Weight |
409.559
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCNC2CC3CC3(C2)c2ccccc2)n1C
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| InChI |
InChI=1S/C22H27N5OS/c1-15-19(28-14-24-15)20-25-26-21(27(20)2)29-10-6-9-23-18-11-17-12-22(17,13-18)16-7-4-3-5-8-16/h3-5,7-8,14,17-18,23H,6,9-13H2,1-2H3
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| InChIKey |
XWXGIXOQLMBDID-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