General Information of the Compound
| Compound ID |
CP0395757
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| Compound Name |
7-({[4-(cyclopropylmethyl)-1,4-oxazepan-2- yl]methyl}oxy)-N-(3,4-dichlorophenyl)-6- (methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C25H28Cl2N4O3
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| Molecular Weight |
503.43
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC2CC2)CCCO1
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| InChI |
InChI=1S/C25H28Cl2N4O3/c1-32-23-10-19-22(28-15-29-25(19)30-17-5-6-20(26)21(27)9-17)11-24(23)34-14-18-13-31(7-2-8-33-18)12-16-3-4-16/h5-6,9-11,15-16,18H,2-4,7-8,12-14H2,1H3,(H,28,29,30)
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| InChIKey |
XNADADUSWUFNQO-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