General Information of the Compound
| Compound ID |
CP0576788
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| Compound Name |
4-(4-hydroxyphenyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C22H22F3N5O2
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| Molecular Weight |
445.445
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(NC(=O)N2CCN(CC2)c2ccc(O)cc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N5O2/c1-15-13-30(14-26-15)19-11-16(22(23,24)25)10-17(12-19)27-21(32)29-8-6-28(7-9-29)18-2-4-20(31)5-3-18/h2-5,10-14,31H,6-9H2,1H3,(H,27,32)
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| InChIKey |
FDVXVQQURZDNPY-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