General Information of the Compound
| Compound ID |
CP0346424
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| Compound Name |
(1S,5R)-3-[3-[(4-methyl-5-pyrimidin-5-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 |
C22H23F3N6S
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| Molecular Weight |
460.529
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| Canonical SMILES |
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cncnc1
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| InChI |
InChI=1S/C22H23F3N6S/c1-30-19(15-10-26-14-27-11-15)28-29-20(30)32-8-2-7-31-12-18-9-21(18,13-31)16-3-5-17(6-4-16)22(23,24)25/h3-6,10-11,14,18H,2,7-9,12-13H2,1H3/t18-,21+/m0/s1
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| InChIKey |
ZUBZEOWJXKKPSY-GHTZIAJQSA-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