General Information of the Compound
| Compound ID |
CP0948250
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| Compound Name |
(4-(3-cyclohexenyl-5-methyl-7-oxo-2-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)methyl dihydrogen phosphate
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| Formula |
C26H26N3O6P
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| Molecular Weight |
507.483
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| Canonical SMILES |
Cc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(OCOP(=O)(O)O)cc1
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| InChI |
InChI=1S/C26H26N3O6P/c1-17-22(19-12-14-21(15-13-19)34-16-35-36(31,32)33)26(30)29-25(27-17)23(18-8-4-2-5-9-18)24(28-29)20-10-6-3-7-11-20/h3,6-8,10-15,27H,2,4-5,9,16H2,1H3,(H2,31,32,33)
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| InChIKey |
JPEWIRVDGPBBIX-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