General Information of the Compound
| Compound ID |
CP0565963
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| Compound Name |
N-[2-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C25H28FN7
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| Molecular Weight |
445.546
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| Canonical SMILES |
CN(C)CCNc1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1
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| InChI |
InChI=1S/C25H28FN7/c1-33(2)10-9-28-24-20-11-17(18-12-29-30-13-18)5-8-23(20)31-25(32-24)22-15-27-14-21(22)16-3-6-19(26)7-4-16/h3-8,11-13,21-22,27H,9-10,14-15H2,1-2H3,(H,29,30)(H,28,31,32)/t21-,22+/m0/s1
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| InChIKey |
VZPVFOKTKMRVPA-FCHUYYIVSA-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