General Information of the Compound
| Compound ID |
CP0868995
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| Compound Name |
5-((4-amino-1,3,5-triazin-2-yl)amino)-3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C28H26N8O2
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| Molecular Weight |
506.57
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| Canonical SMILES |
COc1ccc(-c2c(Nc3ncnc(N)n3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C28H26N8O2/c1-38-20-14-12-18(13-15-20)22-24(33-28-31-16-30-27(29)34-28)32-25-21(17-8-4-2-5-9-17)23(35-36(25)26(22)37)19-10-6-3-7-11-19/h3,6-8,10-16,32H,2,4-5,9H2,1H3,(H3,29,30,31,33,34)
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| InChIKey |
SPHZIAIYFCSDCT-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