General Information of the Compound
| Compound ID |
CP0509632
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| Compound Name |
1-[4-(3-Chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yloxy]-3-imidazol-1-yl-propan-2-ol
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| Structure |
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| Formula |
C21H19ClFN5O3
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| Molecular Weight |
443.866
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)Cn1ccnc1
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| InChI |
InChI=1S/C21H19ClFN5O3/c1-30-19-8-18-15(7-20(19)31-10-14(29)9-28-5-4-24-12-28)21(26-11-25-18)27-13-2-3-17(23)16(22)6-13/h2-8,11-12,14,29H,9-10H2,1H3,(H,25,26,27)
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| InChIKey |
VXAFUEXPWHBEQW-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