General Information of the Compound
| Compound ID |
CP0543994
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| Compound Name |
2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-N,N-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H21FN6
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| Molecular Weight |
376.439
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| Canonical SMILES |
CN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H](N)Cc1cccc(F)c1
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| InChI |
InChI=1S/C21H21FN6/c1-28(2)21-17-10-14(15-11-24-25-12-15)6-7-19(17)26-20(27-21)18(23)9-13-4-3-5-16(22)8-13/h3-8,10-12,18H,9,23H2,1-2H3,(H,24,25)/t18-/m0/s1
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| InChIKey |
WISDSCBNPFMRSU-SFHVURJKSA-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