General Information of the Compound
| Compound ID |
CP0574108
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| Compound Name |
2-[[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
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| Structure |
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| Formula |
C22H23FN6O
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| Molecular Weight |
406.465
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| Canonical SMILES |
CN(CCO)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H](N)Cc1cccc(F)c1
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| InChI |
InChI=1S/C22H23FN6O/c1-29(7-8-30)22-18-11-15(16-12-25-26-13-16)5-6-20(18)27-21(28-22)19(24)10-14-3-2-4-17(23)9-14/h2-6,9,11-13,19,30H,7-8,10,24H2,1H3,(H,25,26)/t19-/m0/s1
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| InChIKey |
KNXAAUXJYZDYLN-IBGZPJMESA-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