General Information of the Compound
| Compound ID |
CP0573634
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| Compound Name |
9-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3-pyridin-2-yl-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C26H34N6S
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| Molecular Weight |
462.667
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| Canonical SMILES |
Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccccn2)nnc1-c1ccccc1
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| InChI |
InChI=1S/C26H34N6S/c1-30-24(22-8-3-2-4-9-22)28-29-25(30)33-21-7-16-31-17-11-26(12-18-31)13-19-32(20-14-26)23-10-5-6-15-27-23/h2-6,8-10,15H,7,11-14,16-21H2,1H3
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| InChIKey |
LNZYQGOEJQNILH-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