General Information of the Compound
| Compound ID |
CP0468995
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| Compound Name |
3-(2-methoxyphenyl)-9-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C27H35N5OS
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| Molecular Weight |
477.678
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| Canonical SMILES |
COc1ccccc1N1CCC2(CCN(CCSc3nnc(-c4ccccc4)n3C)CC2)CC1
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| InChI |
InChI=1S/C27H35N5OS/c1-30-25(22-8-4-3-5-9-22)28-29-26(30)34-21-20-31-16-12-27(13-17-31)14-18-32(19-15-27)23-10-6-7-11-24(23)33-2/h3-11H,12-21H2,1-2H3
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| InChIKey |
NCWGEGAYIHJRDE-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