General Information of the Compound
| Compound ID |
CP0690841
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| Compound Name |
N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-8-(4-ethylpiperazin-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C27H33N7O2
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| Molecular Weight |
487.608
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| Canonical SMILES |
CCN1CCN(c2cccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)ncnc23)CC1
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| InChI |
InChI=1S/C27H33N7O2/c1-4-33-10-12-34(13-11-33)24-7-5-6-23-26(24)28-18-29-27(23)30-25-16-20(31-32-25)9-8-19-14-21(35-2)17-22(15-19)36-3/h5-7,14-18H,4,8-13H2,1-3H3,(H2,28,29,30,31,32)
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| InChIKey |
SBXHPFYQZODWSK-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