General Information of the Compound
| Compound ID |
CP0901581
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| Compound Name |
3-cyclohexenyl-2-phenyl-5-(pyrazin-2-ylamino)-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C31H25N7O
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| Molecular Weight |
511.589
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| Canonical SMILES |
O=c1c(-c2ccc3ncccc3c2)c(Nc2cnccn2)[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn12
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| InChI |
InChI=1S/C31H25N7O/c39-31-27(23-13-14-24-22(18-23)12-7-15-33-24)29(35-25-19-32-16-17-34-25)36-30-26(20-8-3-1-4-9-20)28(37-38(30)31)21-10-5-2-6-11-21/h2,5-8,10-19,36H,1,3-4,9H2,(H,34,35)
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| InChIKey |
VJUHWPQSRGJLDK-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