General Information of the Compound
| Compound ID |
CP0110078
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| Compound Name |
(S)-6-(4-fluorophenyl)-N-methyl-N-(6-((3-oxopiperazin-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)nicotinamide
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| Structure |
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| Formula |
C28H29FN4O2
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| Molecular Weight |
472.564
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| Canonical SMILES |
CN([C@H]1CCc2cc(CN3CCNC(=O)C3)ccc2C1)C(=O)c1ccc(nc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H29FN4O2/c1-32(28(35)23-7-11-26(31-16-23)20-4-8-24(29)9-5-20)25-10-6-21-14-19(2-3-22(21)15-25)17-33-13-12-30-27(34)18-33/h2-5,7-9,11,14,16,25H,6,10,12-13,15,17-18H2,1H3,(H,30,34)/t25-/m0/s1
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| InChIKey |
YJAPXTJNXJHOJK-VWLOTQADSA-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