General Information of the Compound
| Compound ID |
CP0513230
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| Compound Name |
N'-[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
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| Structure |
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| Formula |
C24H28FN7
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| Molecular Weight |
433.535
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| Canonical SMILES |
CN(C)CCN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@H](N)Cc1cccc(F)c1
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| InChI |
InChI=1S/C24H28FN7/c1-31(2)9-10-32(3)24-20-13-17(18-14-27-28-15-18)7-8-22(20)29-23(30-24)21(26)12-16-5-4-6-19(25)11-16/h4-8,11,13-15,21H,9-10,12,26H2,1-3H3,(H,27,28)/t21-/m1/s1
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| InChIKey |
RMLVHGIFSMSTPF-OAQYLSRUSA-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