General Information of the Compound
| Compound ID |
CP0386826
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| Compound Name |
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C26H33F3N6O
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| Molecular Weight |
502.585
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| Canonical SMILES |
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C26H33F3N6O/c1-25(2,3)24-32-21(26(27,28)29)17-22(33-24)35-14-12-34(13-15-35)11-7-6-10-30-23(36)20-16-18-8-4-5-9-19(18)31-20/h4-5,8-9,16-17,31H,6-7,10-15H2,1-3H3,(H,30,36)
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| InChIKey |
BNYKYKBRFUPQSI-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