General Information of the Compound
| Compound ID |
CP0456048
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| Compound Name |
N-[3-[4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C21H24N8O2
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| Molecular Weight |
420.477
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc[nH]n2)nc(Oc2cccc(NC(=O)C=C)c2)n1
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| InChI |
InChI=1S/C21H24N8O2/c1-3-20(30)23-15-5-4-6-16(13-15)31-21-25-18(24-17-7-8-22-27-17)14-19(26-21)29-11-9-28(2)10-12-29/h3-8,13-14H,1,9-12H2,2H3,(H,23,30)(H2,22,24,25,26,27)
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| InChIKey |
UKXJZXRDIMDNFP-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