General Information of the Compound
| Compound ID |
CP0942618
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| Compound Name |
7-({[4-(2-cyclohexylethyl)-1,4-oxazepan-2-yl]methyl}oxy)-4-[(3,4-dichlorophenyl)methyl]-6-(methyloxy)quinazoline
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| Structure |
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| Formula |
C29H36Cl2N4O3
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| Molecular Weight |
559.538
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCC2CCCCC2)CCCO1
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| InChI |
InChI=1S/C29H36Cl2N4O3/c1-36-27-15-23-26(32-19-33-29(23)34-21-8-9-24(30)25(31)14-21)16-28(27)38-18-22-17-35(11-5-13-37-22)12-10-20-6-3-2-4-7-20/h8-9,14-16,19-20,22H,2-7,10-13,17-18H2,1H3,(H,32,33,34)
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| InChIKey |
OIGAOMAHSFGBDQ-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