General Information of the Compound
| Compound ID |
CP0942616
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({4-[(2R)-2-methylbutyl]morpholin-2-yl}methyl)oxy)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C25H30Cl2N4O3
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| Molecular Weight |
505.446
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| Canonical SMILES |
CC[C@@H](C)CN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C25H30Cl2N4O3/c1-4-16(2)12-31-7-8-33-18(13-31)14-34-24-11-22-19(10-23(24)32-3)25(29-15-28-22)30-17-5-6-20(26)21(27)9-17/h5-6,9-11,15-16,18H,4,7-8,12-14H2,1-3H3,(H,28,29,30)/t16-,18?/m1/s1
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| InChIKey |
VWLDHVBJTHRWJI-PYUWXLGESA-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