General Information of the Compound
| Compound ID |
CP0909282
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| Compound Name |
3-cyclohexenyl-6-(4-hydroxyphenyl)-2-phenyl-5-(pyrazin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C28H24N6O2
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| Molecular Weight |
476.54
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| Canonical SMILES |
O=c1c(-c2ccc(O)cc2)c(Nc2cnccn2)[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn12
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| InChI |
InChI=1S/C28H24N6O2/c35-21-13-11-19(12-14-21)24-26(31-22-17-29-15-16-30-22)32-27-23(18-7-3-1-4-8-18)25(33-34(27)28(24)36)20-9-5-2-6-10-20/h2,5-7,9-17,32,35H,1,3-4,8H2,(H,30,31)
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| InChIKey |
LKWWKZZRCIPMGV-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