General Information of the Compound
| Compound ID |
CP0438171
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| Compound Name |
7,7-dimethyl-5-phenyl-N-[5-[4-(trifluoromethyl)phenyl]nonan-5-yl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C31H39F3N4O
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| Molecular Weight |
540.674
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| Canonical SMILES |
CCCCC(CCCC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H39F3N4O/c1-5-7-18-30(19-8-6-2,23-14-16-24(17-15-23)31(32,33)34)37-28(39)25-21-35-38-27(25)36-26(20-29(38,3)4)22-12-10-9-11-13-22/h9-17,21,26,36H,5-8,18-20H2,1-4H3,(H,37,39)
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| InChIKey |
CRQGMSQDGIMFTR-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