General Information of the Compound
| Compound ID |
CP0866616
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| Compound Name |
3-((methylamino)methyl)-N-{(2R)-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl}-5-(trifluoromethyl)benzamide dihydrochloride
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| Structure |
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| Formula |
C28H29Cl2F3N4O3
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| Molecular Weight |
597.465
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| Canonical SMILES |
CNCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1.Cl.Cl
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| InChI |
InChI=1S/C28H27F3N4O3.2ClH/c1-32-15-16-10-19(12-20(11-16)28(29,30)31)27(37)34-21-4-2-17-3-5-22(14-18(17)13-21)38-24-8-9-33-26-23(24)6-7-25(36)35-26;;/h3,5,8-12,14,21,32H,2,4,6-7,13,15H2,1H3,(H,34,37)(H,33,35,36);2*1H/t21-;;/m1../s1
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| InChIKey |
HKTUVWLGNTVHIH-GHVWMZMZSA-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