General Information of the Compound
| Compound ID |
CP0429830
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| Compound Name |
2-[7-amino-2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[(4-aminophenyl)methyl]acetamide
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| Structure |
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| Formula |
C21H28N6O
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| Molecular Weight |
380.496
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| Canonical SMILES |
CCN1C(CC(=O)NCc2ccc(N)cc2)c2ccc(N)cc2N=C1N(C)C
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| InChI |
InChI=1S/C21H28N6O/c1-4-27-19(12-20(28)24-13-14-5-7-15(22)8-6-14)17-10-9-16(23)11-18(17)25-21(27)26(2)3/h5-11,19H,4,12-13,22-23H2,1-3H3,(H,24,28)
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| InChIKey |
CJXVSJOYOPIRCV-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