General Information of the Compound
| Compound ID |
CP0344975
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| Compound Name |
1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
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| Structure |
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| Formula |
C21H20FN7O
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| Molecular Weight |
405.437
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)C2=Nc3c(N)ncnc3NCC2)c1
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| InChI |
InChI=1S/C21H20FN7O/c1-12-2-7-15(22)17(10-12)29-21(30)27-14-5-3-13(4-6-14)16-8-9-24-20-18(28-16)19(23)25-11-26-20/h2-7,10-11H,8-9H2,1H3,(H2,27,29,30)(H3,23,24,25,26)
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| InChIKey |
DNLUUFFUPPKOJE-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