General Information of the Compound
| Compound ID |
CP0761938
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| Compound Name |
N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-7-(4-methylpiperazin-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C26H31N7O2
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| Molecular Weight |
473.581
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(C)CC5)ccc34)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C26H31N7O2/c1-32-8-10-33(11-9-32)20-6-7-23-24(15-20)27-17-28-26(23)29-25-14-19(30-31-25)5-4-18-12-21(34-2)16-22(13-18)35-3/h6-7,12-17H,4-5,8-11H2,1-3H3,(H2,27,28,29,30,31)
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| InChIKey |
WANODAHZPQNIHV-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