General Information of the Compound
| Compound ID |
CP0666212
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| Compound Name |
N-[2-(1-Methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
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| Structure |
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| Formula |
C27H28N6O
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| Molecular Weight |
452.562
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| Canonical SMILES |
CN1CCCC1CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
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| InChI |
InChI=1S/C27H28N6O/c1-33-16-2-3-24(33)12-15-29-26(34)20-4-7-23(8-5-20)31-27-30-18-22-17-21(6-9-25(22)32-27)19-10-13-28-14-11-19/h4-11,13-14,17-18,24H,2-3,12,15-16H2,1H3,(H,29,34)(H,30,31,32)
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| InChIKey |
LZUBRBPDQNOPAH-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