General Information of the Compound
| Compound ID |
CP0396199
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| Compound Name |
(2R,3S)-2-(4-fluorophenyl)-5-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-5-azaspiro[2.4]heptane
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| Structure |
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| Formula |
C23H26FN5S
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| Molecular Weight |
423.561
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| Canonical SMILES |
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3)C2)nnc1-c1cccnc1
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| InChI |
InChI=1S/C23H26FN5S/c1-28-21(18-4-2-10-25-15-18)26-27-22(28)30-13-3-11-29-12-9-23(16-29)14-20(23)17-5-7-19(24)8-6-17/h2,4-8,10,15,20H,3,9,11-14,16H2,1H3/t20-,23+/m1/s1
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| InChIKey |
JGGOHKJHMHHQML-OFNKIYASSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2