General Information of the Compound
| Compound ID |
CP0362591
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| Compound Name |
4-[3-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3-azabicyclo[3.1.0]hexan-1-yl]benzonitrile
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| Structure |
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| Formula |
C28H28N6S
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| Molecular Weight |
480.641
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C#N)n1C
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| InChI |
InChI=1S/C28H28N6S/c1-19-7-12-23-24(5-3-6-25(23)30-19)26-31-32-27(33(26)2)35-14-4-13-34-17-22-15-28(22,18-34)21-10-8-20(16-29)9-11-21/h3,5-12,22H,4,13-15,17-18H2,1-2H3
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| InChIKey |
CLLQEXUCEWAACY-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