General Information of the Compound
| Compound ID |
CP0058391
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| Compound Name |
N-(3-fluorophenyl)-2-[3-[[7-[3-[2-hydroxyethyl(propyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide
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| Structure |
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| Formula |
C28H34FN7O4
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| Molecular Weight |
551.623
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| Canonical SMILES |
CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
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| InChI |
InChI=1S/C28H34FN7O4/c1-3-8-36(10-11-37)9-5-12-40-25-17-23-22(16-24(25)39-2)28(31-18-30-23)33-26-14-21(34-35-26)15-27(38)32-20-7-4-6-19(29)13-20/h4,6-7,13-14,16-18,37H,3,5,8-12,15H2,1-2H3,(H,32,38)(H2,30,31,33,34,35)
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| InChIKey |
JCXULQAGBNATOH-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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