General Information of the Compound
| Compound ID |
CP0047125
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| Compound Name |
8-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-3-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]-octane
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| Formula |
C24H28F3N5OS
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| Molecular Weight |
491.583
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C24H28F3N5OS/c1-15-21(33-14-28-15)22-29-30-23(31(22)2)34-11-3-10-32-19-8-9-20(32)13-17(12-19)16-4-6-18(7-5-16)24(25,26)27/h4-7,14,17,19-20H,3,8-13H2,1-2H3/t17-,19+,20-
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| InChIKey |
UKPYAHVTVCYHSG-FNLKRUPLSA-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