General Information of the Compound
| Compound ID |
CP0411587
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| Compound Name |
N-[3-[[5-chloro-2-[4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H29ClN6O3
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| Molecular Weight |
509.01
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| Canonical SMILES |
Clc1cnc(Nc2ccc(OCCCN3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C26H29ClN6O3/c1-2-24(34)29-20-5-3-6-21(17-20)30-25-23(27)18-28-26(32-25)31-19-7-9-22(10-8-19)36-14-4-11-33-12-15-35-16-13-33/h2-3,5-10,17-18H,1,4,11-16H2,(H,29,34)(H2,28,30,31,32)
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| InChIKey |
NBNBOYCGFBMTJH-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