General Information of the Compound
| Compound ID |
CP0360545
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-[4-(dimethylamino)piperidin-1-yl]quinazolin-4-amine
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| Structure |
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| Formula |
C28H35N7O2
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| Molecular Weight |
501.635
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCC(CC3)N(C)C)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C28H35N7O2/c1-34(2)21-9-11-35(12-10-21)22-7-8-25-26(16-22)29-18-30-28(25)31-27-15-20(32-33-27)6-5-19-13-23(36-3)17-24(14-19)37-4/h7-8,13-18,21H,5-6,9-12H2,1-4H3,(H2,29,30,31,32,33)
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| InChIKey |
KKZQMCOLHGTWLO-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