General Information of the Compound
| Compound ID |
CP0401722
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropylpropyl]quinazoline-2,4-diamine
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| Structure |
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| Formula |
C20H20ClFN4
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| Molecular Weight |
370.859
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| Canonical SMILES |
CC[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12)C1CC1
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| InChI |
InChI=1S/C20H20ClFN4/c1-2-17(12-7-8-12)24-19-14-5-3-4-6-18(14)25-20(26-19)23-13-9-10-16(22)15(21)11-13/h3-6,9-12,17H,2,7-8H2,1H3,(H2,23,24,25,26)/t17-/m1/s1
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| InChIKey |
NXQHGTIGUQOJSX-QGZVFWFLSA-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