General Information of the Compound
| Compound ID |
CP0951434
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| Compound Name |
3-cyclohexenyl-2-phenyl-5-(pyridin-2-ylamino)-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C32H26N6O
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| Molecular Weight |
510.601
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| Canonical SMILES |
O=c1c(-c2ccc3ncccc3c2)c(Nc2ccccn2)[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn12
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| InChI |
InChI=1S/C32H26N6O/c39-32-28(24-16-17-25-23(20-24)14-9-19-33-25)30(35-26-15-7-8-18-34-26)36-31-27(21-10-3-1-4-11-21)29(37-38(31)32)22-12-5-2-6-13-22/h2,5-10,12-20,36H,1,3-4,11H2,(H,34,35)
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| InChIKey |
ZPZNSJNZTNTRLP-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