General Information of the Compound
| Compound ID |
CP0944482
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| Compound Name |
3-cyclohex-1-en-1-yl-1-(methoxymethyl)-6-(4-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7(1H)-one
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| Structure |
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
COCn1c(-c2ccccc2)c(C2=CCCCC2)c2nc(C)c(-c3ccc(OC)cc3)c(=O)n21
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| InChI |
InChI=1S/C28H29N3O3/c1-19-24(21-14-16-23(34-3)17-15-21)28(32)31-27(29-19)25(20-10-6-4-7-11-20)26(30(31)18-33-2)22-12-8-5-9-13-22/h5,8-10,12-17H,4,6-7,11,18H2,1-3H3
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| InChIKey |
GQUDAMBQPQDCJJ-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