General Information of the Compound
| Compound ID |
CP0391961
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| Compound Name |
N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C21H16ClN5O
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| Molecular Weight |
389.846
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| Canonical SMILES |
Clc1cnc(Nc2ccc(NC(=O)C=C)cc2)nc1-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H16ClN5O/c1-2-19(28)25-13-7-9-14(10-8-13)26-21-24-12-17(22)20(27-21)16-11-23-18-6-4-3-5-15(16)18/h2-12,23H,1H2,(H,25,28)(H,24,26,27)
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| InChIKey |
HIDQBJIUUMDHMC-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