General Information of the Compound
| Compound ID |
CP0416756
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| Compound Name |
3-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-4-yl]amino]phenol
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| Structure |
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
OCCN1CCN(CC1)c1nc(Nc2cccc(O)c2)c2ccccc2n1
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| InChI |
InChI=1S/C20H23N5O2/c26-13-12-24-8-10-25(11-9-24)20-22-18-7-2-1-6-17(18)19(23-20)21-15-4-3-5-16(27)14-15/h1-7,14,26-27H,8-13H2,(H,21,22,23)
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| InChIKey |
VREKGJXMPYIDLJ-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