General Information of the Compound
| Compound ID |
CP0901580
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| Compound Name |
3-cyclohexenyl-6-(4-methoxyphenyl)-5-(2-methoxypyrimidin-4-ylamino)-2-phenylpyrazolo [1,5-a]pyrimidin-7(4H)-one
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| Formula |
C30H28N6O3
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| Molecular Weight |
520.593
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| Canonical SMILES |
COc1ccc(-c2c(Nc3ccnc(OC)n3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C30H28N6O3/c1-38-22-15-13-20(14-16-22)25-27(32-23-17-18-31-30(33-23)39-2)34-28-24(19-9-5-3-6-10-19)26(35-36(28)29(25)37)21-11-7-4-8-12-21/h4,7-9,11-18,34H,3,5-6,10H2,1-2H3,(H,31,32,33)
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| InChIKey |
UTYSDKPNJYHDGF-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