General Information of the Compound
| Compound ID |
CP0471456
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylpropyl)quinazoline-2,4-diamine
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| Structure |
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| Formula |
C18H18ClFN4
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| Molecular Weight |
344.821
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| Canonical SMILES |
CC(C)CNc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12
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| InChI |
InChI=1S/C18H18ClFN4/c1-11(2)10-21-17-13-5-3-4-6-16(13)23-18(24-17)22-12-7-8-15(20)14(19)9-12/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)
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| InChIKey |
STCWJTWNLYWKBK-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