General Information of the Compound
| Compound ID |
CP0572944
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| Compound Name |
[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C30H30F3N5O2
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| Molecular Weight |
549.597
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C30H30F3N5O2/c1-29(2,3)23-9-4-20(5-10-23)19-37-14-16-38(17-15-37)28(39)22-8-13-25(34-18-22)27-35-26(36-40-27)21-6-11-24(12-7-21)30(31,32)33/h4-13,18H,14-17,19H2,1-3H3
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| InChIKey |
KHOSKVAZJAHNTK-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