General Information of the Compound
| Compound ID |
CP0540617
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| Compound Name |
(E)-N-[4-(3-chloroanilino)quinazolin-6-yl]-3-thiophen-2-ylprop-2-enamide
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| Structure |
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| Formula |
C21H15ClN4OS
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| Molecular Weight |
406.898
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\c4cccs4)cc23)c1
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| InChI |
InChI=1S/C21H15ClN4OS/c22-14-3-1-4-15(11-14)26-21-18-12-16(6-8-19(18)23-13-24-21)25-20(27)9-7-17-5-2-10-28-17/h1-13H,(H,25,27)(H,23,24,26)/b9-7+
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| InChIKey |
QCXGPXCCRSBZGD-VQHVLOKHSA-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