General Information of the Compound
| Compound ID |
CP0396178
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| Compound Name |
N-[3-[[5-chloro-2-[4-[2-(1,2,4-triazol-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C23H21ClN8O2
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| Molecular Weight |
476.928
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| Canonical SMILES |
Clc1cnc(Nc2ccc(OCCn3cncn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C23H21ClN8O2/c1-2-21(33)28-17-4-3-5-18(12-17)29-22-20(24)13-26-23(31-22)30-16-6-8-19(9-7-16)34-11-10-32-15-25-14-27-32/h2-9,12-15H,1,10-11H2,(H,28,33)(H2,26,29,30,31)
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| InChIKey |
SJOULGHZZWXSPK-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