General Information of the Compound
| Compound ID |
CP0045217
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| Compound Name |
(S)-N-(6-(((2-(dimethylamino)-2-oxoethyl)(methyl)amino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4'-fluoro-N-methylbiphenyl-4-carboxamide
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| Structure |
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| Formula |
C30H34FN3O2
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| Molecular Weight |
487.619
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| Canonical SMILES |
CN(CC(=O)N(C)C)Cc1ccc2C[C@H](CCc2c1)N(C)C(=O)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H34FN3O2/c1-32(2)29(35)20-33(3)19-21-5-6-26-18-28(16-13-25(26)17-21)34(4)30(36)24-9-7-22(8-10-24)23-11-14-27(31)15-12-23/h5-12,14-15,17,28H,13,16,18-20H2,1-4H3/t28-/m0/s1
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| InChIKey |
JWTBNTCDSNQIDW-NDEPHWFRSA-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