General Information of the Compound
| Compound ID |
CP0396782
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| Compound Name |
2-{[4-[4-(2-Methoxy-phenyl)- piperidin-1-yl]-2-(1-methyl- cyclobutyl)-quinazolin-6-yl]- methyl-amino}-ethanol
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| Structure |
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| Formula |
C28H36N4O2
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| Molecular Weight |
460.622
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCO)C1(C)CCC1
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| InChI |
InChI=1S/C28H36N4O2/c1-28(13-6-14-28)27-29-24-10-9-21(31(2)17-18-33)19-23(24)26(30-27)32-15-11-20(12-16-32)22-7-4-5-8-25(22)34-3/h4-5,7-10,19-20,33H,6,11-18H2,1-3H3
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| InChIKey |
IYXHEPYZZHBMIL-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