General Information of the Compound
| Compound ID |
CP0470386
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| Compound Name |
2-({7-chloro-2-cyclopropyl-4-[4- (2-methoxy-phenyl)-piperidin-1- yl]-quinazolin-6-yl}-methyl- amino)-ethanol
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| Structure |
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| Formula |
C26H31ClN4O2
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| Molecular Weight |
467.013
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2cc(Cl)c(cc12)N(C)CCO)C1CC1
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| InChI |
InChI=1S/C26H31ClN4O2/c1-30(13-14-32)23-15-20-22(16-21(23)27)28-25(18-7-8-18)29-26(20)31-11-9-17(10-12-31)19-5-3-4-6-24(19)33-2/h3-6,15-18,32H,7-14H2,1-2H3
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| InChIKey |
FXTDWARLSLFEKN-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