General Information of the Compound
| Compound ID |
CP0305885
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| Compound Name |
5-methyl-1-phenyl-N-[3,3,3-trifluoro-2-hydroxy-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]propyl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C26H28F3N3O2
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| Molecular Weight |
471.523
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| Canonical SMILES |
Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33)
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| InChIKey |
WKLXPIONPIEMBZ-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