General Information of the Compound
| Compound ID |
CP0868996
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| Compound Name |
3-(cyclohex-1-en-1-yl)-5-(isoxazol-3-ylamino)-2-phenyl-6-(quinoxalin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C29H23N7O2
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| Molecular Weight |
501.55
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| Canonical SMILES |
O=c1c(-c2ccc3nccnc3c2)c(Nc2ccon2)[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn12
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| InChI |
InChI=1S/C29H23N7O2/c37-29-25(20-11-12-21-22(17-20)31-15-14-30-21)27(32-23-13-16-38-35-23)33-28-24(18-7-3-1-4-8-18)26(34-36(28)29)19-9-5-2-6-10-19/h2,5-7,9-17,33H,1,3-4,8H2,(H,32,35)
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| InChIKey |
QIUSGFMQBSTBSV-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