General Information of the Compound
| Compound ID |
CP0963751
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| Compound Name |
2-amino-N-[dideuterio-[6-[dideuterio-[5-(2-methoxyethoxy)-3-pyridyl]methyl]-2-pyridyl]methyl]-8-methoxy-quinazoline-4-carboxamide
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| Structure |
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| Formula |
C25H26N6O4
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| Molecular Weight |
478.5454071
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| Canonical SMILES |
[2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(C([2H])([2H])c2cncc(OCCOC)c2)n1
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| InChI |
InChI=1S/C25H26N6O4/c1-33-9-10-35-19-12-16(13-27-15-19)11-17-5-3-6-18(29-17)14-28-24(32)23-20-7-4-8-21(34-2)22(20)30-25(26)31-23/h3-8,12-13,15H,9-11,14H2,1-2H3,(H,28,32)(H2,26,30,31)/i11D2,14D2
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| InChIKey |
BVKYBOZVLITWKN-WDVOAUESSA-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