General Information of the Compound
| Compound ID |
CP0434909
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| Compound Name |
N-[2-[[5-chloro-2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H26ClN7O3
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| Molecular Weight |
507.982
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| Canonical SMILES |
Clc1cnc(Nc2ccc(NC(=O)CN3CCOCC3)cc2)nc1Nc1ccccc1NC(=O)C=C
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| InChI |
InChI=1S/C25H26ClN7O3/c1-2-22(34)30-20-5-3-4-6-21(20)31-24-19(26)15-27-25(32-24)29-18-9-7-17(8-10-18)28-23(35)16-33-11-13-36-14-12-33/h2-10,15H,1,11-14,16H2,(H,28,35)(H,30,34)(H2,27,29,31,32)
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| InChIKey |
BAVPLHGWFQZVQT-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