General Information of the Compound
| Compound ID |
CP0257092
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| Compound Name |
(S)-N-(6-((dimethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-6-(4-fluorophenyl)-N-methylnicotinamide
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| Structure |
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| Formula |
C26H28FN3O
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| Molecular Weight |
417.528
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| Canonical SMILES |
CN(C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(nc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H28FN3O/c1-29(2)17-18-4-5-21-15-24(12-8-20(21)14-18)30(3)26(31)22-9-13-25(28-16-22)19-6-10-23(27)11-7-19/h4-7,9-11,13-14,16,24H,8,12,15,17H2,1-3H3/t24-/m0/s1
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| InChIKey |
ONJIDPSNVZIKJS-DEOSSOPVSA-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