General Information of the Compound
| Compound ID |
CP0450622
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| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-8-(2-ethoxyethyl)quinazoline-2,4-diamine
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| Structure |
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| Formula |
C23H26ClFN4O
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| Molecular Weight |
428.939
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| Canonical SMILES |
CCOCCc1cccc2c(N[C@H](C)C3CC3)nc(Nc3ccc(F)c(Cl)c3)nc12
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| InChI |
InChI=1S/C23H26ClFN4O/c1-3-30-12-11-16-5-4-6-18-21(16)28-23(27-17-9-10-20(25)19(24)13-17)29-22(18)26-14(2)15-7-8-15/h4-6,9-10,13-15H,3,7-8,11-12H2,1-2H3,(H2,26,27,28,29)/t14-/m1/s1
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| InChIKey |
NFLISYOTJBSOPQ-CQSZACIVSA-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