General Information of the Compound
| Compound ID |
CP0549693
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| Compound Name |
4-N-(3-chlorophenyl)-6-N-(thiophen-2-ylmethyl)quinazoline-4,6-diamine
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| Structure |
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| Formula |
C19H15ClN4S
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| Molecular Weight |
366.877
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NCc4cccs4)cc23)c1
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| InChI |
InChI=1S/C19H15ClN4S/c20-13-3-1-4-15(9-13)24-19-17-10-14(6-7-18(17)22-12-23-19)21-11-16-5-2-8-25-16/h1-10,12,21H,11H2,(H,22,23,24)
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| InChIKey |
DLJNCPISJNSXMU-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