General Information of the Compound
| Compound ID |
CP0549218
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| Compound Name |
7-(4-cyclobutylpiperazin-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]quinazolin-4-amine
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| Structure |
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| Formula |
C29H35N7O2
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| Molecular Weight |
513.646
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCN(CC3)C3CCC3)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C29H35N7O2/c1-37-24-14-20(15-25(18-24)38-2)6-7-21-16-28(34-33-21)32-29-26-9-8-23(17-27(26)30-19-31-29)36-12-10-35(11-13-36)22-4-3-5-22/h8-9,14-19,22H,3-7,10-13H2,1-2H3,(H2,30,31,32,33,34)
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| InChIKey |
WXNBLYTUMAZZAH-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