General Information of the Compound
| Compound ID |
CP0433291
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| Compound Name |
N-[(2S)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-yl]-2-(trifluoromethyl)quinazolin-4-amine
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| Structure |
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| Formula |
C23H26F3N5
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| Molecular Weight |
429.49
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| Canonical SMILES |
C[C@@H](CN1CCN(CC1)c1ccccc1C)Nc1nc(nc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N5/c1-16-7-3-6-10-20(16)31-13-11-30(12-14-31)15-17(2)27-21-18-8-4-5-9-19(18)28-22(29-21)23(24,25)26/h3-10,17H,11-15H2,1-2H3,(H,27,28,29)/t17-/m0/s1
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| InChIKey |
XXKVQRQWTNIHRQ-KRWDZBQOSA-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