General Information of the Compound
| Compound ID |
CP0400252
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| Compound Name |
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C29H41F3N6O
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| Molecular Weight |
546.682
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| Canonical SMILES |
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)C2CCN(CC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C29H41F3N6O/c1-28(2,3)27-34-24(29(30,31)32)21-25(35-27)38-19-17-36(18-20-38)14-8-7-13-33-26(39)22-11-15-37(16-12-22)23-9-5-4-6-10-23/h4-6,9-10,21-22H,7-8,11-20H2,1-3H3,(H,33,39)
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| InChIKey |
YFQOPLHEALSEEL-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