General Information of the Compound
| Compound ID |
CP0459557
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| Compound Name |
4-fluoro-3-[[6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]amino]-2-methylphenol
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| Structure |
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| Formula |
C23H28FN5O3
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| Molecular Weight |
441.507
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| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCN(C)CC1
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| InChI |
InChI=1S/C23H28FN5O3/c1-15-19(30)5-4-17(24)22(15)27-23-16-12-20(31-3)21(13-18(16)25-14-26-23)32-11-10-29-8-6-28(2)7-9-29/h4-5,12-14,30H,6-11H2,1-3H3,(H,25,26,27)
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| InChIKey |
NTGOHUNWBPPUHN-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