General Information of the Compound
| Compound ID |
CP0401721
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-(cyclopropylmethyl)quinazoline-2,4-diamine
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| Structure |
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| Formula |
C18H16ClFN4
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| Molecular Weight |
342.805
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| Canonical SMILES |
Fc1ccc(Nc2nc(NCC3CC3)c3ccccc3n2)cc1Cl
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| InChI |
InChI=1S/C18H16ClFN4/c19-14-9-12(7-8-15(14)20)22-18-23-16-4-2-1-3-13(16)17(24-18)21-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H2,21,22,23,24)
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| InChIKey |
PNKRAJSOASQNCQ-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