General Information of the Compound
| Compound ID |
CP0566757
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| Compound Name |
3-(2,3-dichlorophenyl)-9-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C27H33Cl2N5S
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| Molecular Weight |
530.569
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| Canonical SMILES |
Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2cccc(Cl)c2Cl)nnc1-c1ccccc1
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| InChI |
InChI=1S/C27H33Cl2N5S/c1-32-25(21-7-3-2-4-8-21)30-31-26(32)35-20-6-15-33-16-11-27(12-17-33)13-18-34(19-14-27)23-10-5-9-22(28)24(23)29/h2-5,7-10H,6,11-20H2,1H3
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| InChIKey |
YCQKBDMLGQENAQ-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