General Information of the Compound
| Compound ID |
CP0438486
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| Compound Name |
2-({4-[4-(2-methoxy-phenyl)- piperidin-1-yl]-2-phenyl- quinazolin-6-yl}-methyl-amino)- ethanol
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCO)-c1ccccc1
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| InChI |
InChI=1S/C29H32N4O2/c1-32(18-19-34)23-12-13-26-25(20-23)29(31-28(30-26)22-8-4-3-5-9-22)33-16-14-21(15-17-33)24-10-6-7-11-27(24)35-2/h3-13,20-21,34H,14-19H2,1-2H3
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| InChIKey |
BODOCBQUMDLJMW-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