General Information of the Compound
| Compound ID |
CP0467279
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| Compound Name |
((S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(2-fluoro-2'-methylbiphenyl-4-yl)methanone
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| Structure |
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| Formula |
C28H26FN3O2
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| Molecular Weight |
455.533
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(c(F)c1)-c1ccccc1C
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| InChI |
InChI=1S/C28H26FN3O2/c1-18-5-3-4-6-23(18)24-10-9-21(15-25(24)29)27(33)31-13-14-32(19(2)17-31)28(34)22-8-7-20-11-12-30-26(20)16-22/h3-12,15-16,19,30H,13-14,17H2,1-2H3/t19-/m0/s1
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| InChIKey |
AKLCEAZEZRTKJE-IBGZPJMESA-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