General Information of the Compound
| Compound ID |
CP0457930
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| Compound Name |
(R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)quinazolin-5-yloxy)-N-methylpropanamide
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| Structure |
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| Formula |
C26H23FN6O2
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| Molecular Weight |
470.508
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| Canonical SMILES |
CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C26H23FN6O2/c1-16(26(34)28-2)35-23-8-4-7-21-24(23)25(30-15-29-21)32-20-9-10-22-18(12-20)13-31-33(22)14-17-5-3-6-19(27)11-17/h3-13,15-16H,14H2,1-2H3,(H,28,34)(H,29,30,32)/t16-/m1/s1
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| InChIKey |
WXVGRYVQNLPYBE-MRXNPFEDSA-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