General Information of the Compound
| Compound ID |
CP0409938
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| Compound Name |
4-fluoro-3-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-2-methylphenol
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| Structure |
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| Formula |
C24H30FN5O3
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| Molecular Weight |
455.534
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| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN1CCN(C)CC1
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| InChI |
InChI=1S/C24H30FN5O3/c1-16-20(31)6-5-18(25)23(16)28-24-17-13-21(32-3)22(14-19(17)26-15-27-24)33-12-4-7-30-10-8-29(2)9-11-30/h5-6,13-15,31H,4,7-12H2,1-3H3,(H,26,27,28)
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| InChIKey |
PZSVADNOJUBASZ-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