General Information of the Compound
| Compound ID |
CP0525444
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[4-(1-methylethyl)- 1,4-oxazepan-2-yl]methyl}oxy)-6- (methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C24H28Cl2N4O3
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| Molecular Weight |
491.419
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCO1)C(C)C
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| InChI |
InChI=1S/C24H28Cl2N4O3/c1-15(2)30-7-4-8-32-17(12-30)13-33-23-11-21-18(10-22(23)31-3)24(28-14-27-21)29-16-5-6-19(25)20(26)9-16/h5-6,9-11,14-15,17H,4,7-8,12-13H2,1-3H3,(H,27,28,29)
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| InChIKey |
PWNBTHIQJMPMTI-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