General Information of the Compound
| Compound ID |
CP0544268
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| Compound Name |
1-[4-[5-chloro-2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C24H31ClN6O3
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| Molecular Weight |
487.004
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| Canonical SMILES |
OCCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(OC3CCN(CC3)C(=O)C=C)n2)cc1
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| InChI |
InChI=1S/C24H31ClN6O3/c1-2-22(33)31-9-7-20(8-10-31)34-23-21(25)17-26-24(28-23)27-18-3-5-19(6-4-18)30-13-11-29(12-14-30)15-16-32/h2-6,17,20,32H,1,7-16H2,(H,26,27,28)
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| InChIKey |
VXPYDRUGHLBCON-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