General Information of the Compound
| Compound ID |
CP0309385
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| Compound Name |
(1S,5R)-3-[3-[[4-methyl-5-(6-methylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
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| Structure |
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| Formula |
C24H26F3N5S
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| Molecular Weight |
473.568
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| Canonical SMILES |
Cc1ccc(cn1)-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C24H26F3N5S/c1-16-4-5-17(13-28-16)21-29-30-22(31(21)2)33-11-3-10-32-14-20-12-23(20,15-32)18-6-8-19(9-7-18)24(25,26)27/h4-9,13,20H,3,10-12,14-15H2,1-2H3/t20-,23+/m0/s1
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| InChIKey |
CCJLDYTVWAENSM-NZQKXSOJSA-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