General Information of the Compound
| Compound ID |
CP0515987
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| Compound Name |
2-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-N-phenylquinazoline-2,4-diamine
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| Structure |
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| Formula |
C25H27N4O3P
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| Molecular Weight |
462.49
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| Canonical SMILES |
CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC
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| InChI |
InChI=1S/C25H27N4O3P/c1-3-31-33(30,32-4-2)18-19-14-16-21(17-15-19)27-25-28-23-13-9-8-12-22(23)24(29-25)26-20-10-6-5-7-11-20/h5-17H,3-4,18H2,1-2H3,(H2,26,27,28,29)
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| InChIKey |
WWXDOAVTZMDWIQ-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