General Information of the Compound
| Compound ID |
CP0068432
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| Compound Name |
2-[3-(3-hydroxy-5-methylphenyl)-4-[6-(3-hydroxypropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
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| Structure |
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| Formula |
C24H23N7O2
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| Molecular Weight |
441.495
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| Canonical SMILES |
Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCO)nc(n1)-c1cccnc1
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| InChI |
InChI=1S/C24H23N7O2/c1-16-10-18(12-19(33)11-16)23-20(15-31(30-23)8-5-25)21-13-22(27-7-3-9-32)29-24(28-21)17-4-2-6-26-14-17/h2,4,6,10-15,32-33H,3,7-9H2,1H3,(H,27,28,29)
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| InChIKey |
KCGNSZSHWLXFFG-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