General Information of the Compound
| Compound ID |
CP0747132
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| Compound Name |
(R)-2-amino-1-(4-(5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinolin-3-yl)piperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C24H25F3N6O3
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| Molecular Weight |
502.497
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| Canonical SMILES |
C[C@@H](N)C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1
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| InChI |
InChI=1S/C24H25F3N6O3/c1-15(28)23(34)32-7-5-31(6-8-32)19-12-20-21(10-17(24(25,26)27)11-22(20)30-14-19)29-13-16-3-2-4-18(9-16)33(35)36/h2-4,9-12,14-15,29H,5-8,13,28H2,1H3/t15-/m1/s1
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| InChIKey |
RTLWTNGNXISZBI-OAHLLOKOSA-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