General Information of the Compound
| Compound ID |
CP0066330
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| Compound Name |
5-(2-ethyltetrazol-5-yl)-4-(4-methylphenyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
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| Structure |
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| Formula |
C26H25F6N5O2
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| Molecular Weight |
553.507
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| Canonical SMILES |
CCn1nnc(n1)C1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1
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| InChI |
InChI=1S/C26H25F6N5O2/c1-3-37-35-22(34-36-37)21-20(17-7-5-16(2)6-8-17)15-24(26(30,31)32,33-23(21)38)18-9-11-19(12-10-18)39-14-4-13-25(27,28)29/h5-12H,3-4,13-15H2,1-2H3,(H,33,38)
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| InChIKey |
YTDRWNDMSGPTFZ-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