General Information of the Compound
| Compound ID |
CP0512375
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| Compound Name |
4-(1-{[(7,7-Dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidine-3-yl)carbonyl]-amino}-1-ethylpropyl)phenyl Acetate
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(OC(C)=O)cc1
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| InChI |
InChI=1S/C28H34N4O3/c1-6-28(7-2,21-13-15-22(16-14-21)35-19(3)33)31-26(34)23-18-29-32-25(23)30-24(17-27(32,4)5)20-11-9-8-10-12-20/h8-16,18,24,30H,6-7,17H2,1-5H3,(H,31,34)
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| InChIKey |
PAVHLCULMYJFGO-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