General Information of the Compound
| Compound ID |
CP0961513
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({4-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]-1,4-oxazepan-2-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C29H36Cl2N4O5
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| Molecular Weight |
591.536
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCOC2CCCCO2)CCCO1
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| InChI |
InChI=1S/C29H36Cl2N4O5/c1-36-26-15-22-25(32-19-33-29(22)34-20-7-8-23(30)24(31)14-20)16-27(26)40-18-21-17-35(9-4-12-37-21)10-5-13-39-28-6-2-3-11-38-28/h7-8,14-16,19,21,28H,2-6,9-13,17-18H2,1H3,(H,32,33,34)
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| InChIKey |
JODXPOKDEXJWRJ-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