General Information of the Compound
| Compound ID |
CP0396781
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| Compound Name |
2-({2-cyclopentyl-4-[4-(2- methoxy-phenyl)-piperidin-1-yl]- 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)C1CCCC1
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| InChI |
InChI=1S/C28H36N4O2/c1-31(17-18-33)22-11-12-25-24(19-22)28(30-27(29-25)21-7-3-4-8-21)32-15-13-20(14-16-32)23-9-5-6-10-26(23)34-2/h5-6,9-12,19-21,33H,3-4,7-8,13-18H2,1-2H3
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| InChIKey |
SMTIKJXXHINZME-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