General Information of the Compound
| Compound ID |
CP0382093
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| Compound Name |
N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-2-(trifluoromethyl)quinazolin-4-amine
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| Structure |
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| Formula |
C23H26F3N5O
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| Molecular Weight |
445.489
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| Canonical SMILES |
COc1ccccc1N1CCN(C[C@H](C)Nc2nc(nc3ccccc23)C(F)(F)F)CC1
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| InChI |
InChI=1S/C23H26F3N5O/c1-16(15-30-11-13-31(14-12-30)19-9-5-6-10-20(19)32-2)27-21-17-7-3-4-8-18(17)28-22(29-21)23(24,25)26/h3-10,16H,11-15H2,1-2H3,(H,27,28,29)/t16-/m0/s1
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| InChIKey |
OPFJKGKEIAOBJQ-INIZCTEOSA-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