General Information of the Compound
| Compound ID |
CP0194246
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| Compound Name |
1-{4-[2-({4-[(5-fluoro-2H-1,3-benzodioxol-4-yl)amino]-5-(propan-2-yloxy)quinazolin-7-yl}oxy)ethyl]piperazin-1-yl}ethan-1-one
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| Structure |
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| Formula |
C26H30FN5O5
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| Molecular Weight |
511.554
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| Canonical SMILES |
CC(C)Oc1cc(OCCN2CCN(CC2)C(C)=O)cc2ncnc(Nc3c4OCOc4ccc3F)c12
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| InChI |
InChI=1S/C26H30FN5O5/c1-16(2)37-22-13-18(34-11-10-31-6-8-32(9-7-31)17(3)33)12-20-23(22)26(29-14-28-20)30-24-19(27)4-5-21-25(24)36-15-35-21/h4-5,12-14,16H,6-11,15H2,1-3H3,(H,28,29,30)
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| InChIKey |
ODKPHHJCMRKOPX-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