General Information of the Compound
| Compound ID |
CP0523680
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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)benzyl Acetate
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(COC(C)=O)cc1
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| InChI |
InChI=1S/C29H36N4O3/c1-6-29(7-2,23-15-13-21(14-16-23)19-36-20(3)34)32-27(35)24-18-30-33-26(24)31-25(17-28(33,4)5)22-11-9-8-10-12-22/h8-16,18,25,31H,6-7,17,19H2,1-5H3,(H,32,35)
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| InChIKey |
VWWPCIMVRXMNJC-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