General Information of the Compound
| Compound ID |
CP0413718
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| Compound Name |
2-[4-[4-(2-fluoroanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C20H22FN5O
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| Molecular Weight |
367.428
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| Canonical SMILES |
OCCN1CCN(CC1)c1nc(Nc2ccccc2F)c2ccccc2n1
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| InChI |
InChI=1S/C20H22FN5O/c21-16-6-2-4-8-18(16)22-19-15-5-1-3-7-17(15)23-20(24-19)26-11-9-25(10-12-26)13-14-27/h1-8,27H,9-14H2,(H,22,23,24)
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| InChIKey |
ZXDTVKUJALXHQJ-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