General Information of the Compound
| Compound ID |
CP0467178
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| Compound Name |
(1S,3S)-N1-(6-fluoro-4-methoxyquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C21H24FN3OS
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| Molecular Weight |
385.508
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| Canonical SMILES |
COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccc(F)cc12
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| InChI |
InChI=1S/C21H24FN3OS/c1-26-20-11-21(25-19-6-5-15(22)9-18(19)20)24-17-4-2-3-16(10-17)23-12-14-7-8-27-13-14/h5-9,11,13,16-17,23H,2-4,10,12H2,1H3,(H,24,25)/t16-,17-/m0/s1
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| InChIKey |
RSDJLPYXEAUVTE-IRXDYDNUSA-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