General Information of the Compound
| Compound ID |
CP0404566
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| Compound Name |
N-[3-[[[6-phenyl-2-(propan-2-ylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C30H28N6O
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| Molecular Weight |
488.595
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| Canonical SMILES |
CC(C)Nc1nc(NCc2cccc(NC(=O)c3cccnc3)c2)c2cc(ccc2n1)-c1ccccc1
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| InChI |
InChI=1S/C30H28N6O/c1-20(2)33-30-35-27-14-13-23(22-9-4-3-5-10-22)17-26(27)28(36-30)32-18-21-8-6-12-25(16-21)34-29(37)24-11-7-15-31-19-24/h3-17,19-20H,18H2,1-2H3,(H,34,37)(H2,32,33,35,36)
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| InChIKey |
ZQFMVBGXXWSXBH-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