General Information of the Compound
| Compound ID |
CP0756961
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| Compound Name |
3-Methoxy-N-((1R)-1-{4-[(6-pyridin-4-ylquinazolin-2-yl)-amino]phenyl}ethyl)propanamide
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
COCCC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
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| InChI |
InChI=1S/C25H25N5O2/c1-17(28-24(31)11-14-32-2)18-3-6-22(7-4-18)29-25-27-16-21-15-20(5-8-23(21)30-25)19-9-12-26-13-10-19/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,28,31)(H,27,29,30)/t17-/m1/s1
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| InChIKey |
IDMVTOZYZLLLTD-QGZVFWFLSA-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