General Information of the Compound
| Compound ID |
CP0386828
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| Compound Name |
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C24H30ClF3N8O
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| Molecular Weight |
539.006
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| Canonical SMILES |
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3nc(Cl)ccc3n2)CC1
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| InChI |
InChI=1S/C24H30ClF3N8O/c1-23(2,3)22-31-17(24(26,27)28)14-20(32-22)35-12-10-34(11-13-35)9-5-4-8-29-21(37)16-15-36-19(30-16)7-6-18(25)33-36/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,29,37)
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| InChIKey |
VCZAICHKRVTUHW-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