General Information of the Compound
| Compound ID |
CP0959019
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| Compound Name |
3-(3-hydroxycyclohex-1-enyl)-5-methyl-2-phenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C28H24N4O2
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| Molecular Weight |
448.526
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| Canonical SMILES |
Cc1[nH]c2c(C3=CC(O)CCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C28H24N4O2/c1-17-24(21-12-13-23-19(15-21)10-6-14-29-23)28(34)32-27(30-17)25(20-9-5-11-22(33)16-20)26(31-32)18-7-3-2-4-8-18/h2-4,6-8,10,12-16,22,30,33H,5,9,11H2,1H3
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| InChIKey |
PCHMNHOSVFEIRM-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