General Information of the Compound
| Compound ID |
CP0475514
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| Compound Name |
2-({2-(1-fluoro-cyclobutyl)-4-[4- (2-methoxy-phenyl)-piperidin-1- yl]-quinazolin-6-yl}-methyl- amino)-ethanol
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| Structure |
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| Formula |
C27H33FN4O2
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| Molecular Weight |
464.585
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCO)C1(F)CCC1
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| InChI |
InChI=1S/C27H33FN4O2/c1-31(16-17-33)20-8-9-23-22(18-20)25(30-26(29-23)27(28)12-5-13-27)32-14-10-19(11-15-32)21-6-3-4-7-24(21)34-2/h3-4,6-9,18-19,33H,5,10-17H2,1-2H3
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| InChIKey |
MMDSVKYAQRIDEA-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