General Information of the Compound
| Compound ID |
CP0340827
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| Compound Name |
5-[5-[3-(7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
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| Structure |
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| Formula |
C23H28BrN5OS
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| Molecular Weight |
502.482
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCCc2cc(Br)ccc32)n1C
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| InChI |
InChI=1S/C23H28BrN5OS/c1-16-20(30-15-25-16)21-26-27-22(28(21)2)31-12-4-10-29-11-9-23(14-29)8-3-5-17-13-18(24)6-7-19(17)23/h6-7,13,15H,3-5,8-12,14H2,1-2H3
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| InChIKey |
LJOIJDZCFSDRBE-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