General Information of the Compound
| Compound ID |
CP0471455
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-pentan-3-ylquinazoline-2,4-diamine
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| Structure |
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| Formula |
C19H20ClFN4
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| Molecular Weight |
358.848
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| Canonical SMILES |
CCC(CC)Nc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12
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| InChI |
InChI=1S/C19H20ClFN4/c1-3-12(4-2)22-18-14-7-5-6-8-17(14)24-19(25-18)23-13-9-10-16(21)15(20)11-13/h5-12H,3-4H2,1-2H3,(H2,22,23,24,25)
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| InChIKey |
MMMLOSDFXADVIH-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