General Information of the Compound
| Compound ID |
CP0399037
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| Compound Name |
[1-[1-[4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol
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| Structure |
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| Formula |
C27H33ClN4O3
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| Molecular Weight |
497.039
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| Canonical SMILES |
COc1cc2nc(nc(-c3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
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| InChI |
InChI=1S/C27H33ClN4O3/c1-34-24-14-22-23(15-25(24)35-2)29-27(30-26(22)19-5-7-20(28)8-6-19)31-12-9-21(10-13-31)32-11-3-4-18(16-32)17-33/h5-8,14-15,18,21,33H,3-4,9-13,16-17H2,1-2H3
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| InChIKey |
LNXSUUCBIPMUEJ-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