General Information of the Compound
| Compound ID |
CP0514509
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| Compound Name |
N-[3-[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H24ClN5O4
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| Molecular Weight |
493.951
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| Canonical SMILES |
Clc1cnc(Nc2ccc(CC(=O)N3CCOCC3)cc2)nc1Oc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C25H24ClN5O4/c1-2-22(32)28-19-4-3-5-20(15-19)35-24-21(26)16-27-25(30-24)29-18-8-6-17(7-9-18)14-23(33)31-10-12-34-13-11-31/h2-9,15-16H,1,10-14H2,(H,28,32)(H,27,29,30)
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| InChIKey |
JFCNNUXZPAQFEF-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