General Information of the Compound
| Compound ID |
CP0333691
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| Compound Name |
5-[5-[3-(7-methoxyspiro[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 |
C24H31N5O2S
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| Molecular Weight |
453.612
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| Canonical SMILES |
COc1ccc2c(CCCC22CCN(CCCSc3nnc(-c4ocnc4C)n3C)C2)c1
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| InChI |
InChI=1S/C24H31N5O2S/c1-17-21(31-16-25-17)22-26-27-23(28(22)2)32-13-5-11-29-12-10-24(15-29)9-4-6-18-14-19(30-3)7-8-20(18)24/h7-8,14,16H,4-6,9-13,15H2,1-3H3
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| InChIKey |
UYVCLAKGXPJPHJ-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