General Information of the Compound
| Compound ID |
CP0412655
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-(cyclobutylmethyl)quinazoline-2,4-diamine
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| Structure |
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| Formula |
C19H18ClFN4
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| Molecular Weight |
356.832
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| Canonical SMILES |
Fc1ccc(Nc2nc(NCC3CCC3)c3ccccc3n2)cc1Cl
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| InChI |
InChI=1S/C19H18ClFN4/c20-15-10-13(8-9-16(15)21)23-19-24-17-7-2-1-6-14(17)18(25-19)22-11-12-4-3-5-12/h1-2,6-10,12H,3-5,11H2,(H2,22,23,24,25)
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| InChIKey |
ZEXYCQUMXINFHZ-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