General Information of the Compound
| Compound ID |
CP0571888
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| Compound Name |
N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridin-3-yl]acetamide
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| Structure |
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| Formula |
C27H22N6O
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| Molecular Weight |
446.514
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| Canonical SMILES |
CC(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
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| InChI |
InChI=1S/C27H22N6O/c1-18(34)31-22-14-20(15-28-16-22)26-32-24-12-7-11-23(19-8-3-2-4-9-19)25(24)27(33-26)30-17-21-10-5-6-13-29-21/h2-16H,17H2,1H3,(H,31,34)(H,30,32,33)
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| InChIKey |
LRVVBPZHOLIFKZ-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
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2