General Information of the Compound
| Compound ID |
CP0066235
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| Compound Name |
4-methyl-5-[4-methyl-5-[3-(1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)propylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
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| Structure |
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| Formula |
C22H28N6OS
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| Molecular Weight |
424.574
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
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| InChI |
InChI=1S/C22H28N6OS/c1-16-20(29-15-23-16)21-24-25-22(26(21)2)30-12-6-10-27-13-17-9-11-28(19(17)14-27)18-7-4-3-5-8-18/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
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| InChIKey |
SBCYNHCFJBYRJY-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
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01266, Muscarinic acetylcholine receptor M3