General Information of the Compound
| Compound ID |
CP0034947
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| Compound Name |
(S)-N-(4-methyl-2-(3-methylpiperazin-1-yl)quinolin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide
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| Structure |
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| Formula |
C24H25F3N4O3
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| Molecular Weight |
474.483
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| Canonical SMILES |
C[C@H]1CN(CCN1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C24H25F3N4O3/c1-15-11-22(31-10-9-28-16(2)13-31)30-21-8-3-17(12-20(15)21)29-23(32)14-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,11-12,16,28H,9-10,13-14H2,1-2H3,(H,29,32)/t16-/m0/s1
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| InChIKey |
FAXPUHNSHUFZDY-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