General Information of the Compound
| Compound ID |
CP0970126
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| Compound Name |
trans-4-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]-1-isopropyl-piperazin-2-one
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| Formula |
C26H26F3N3O2
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| Molecular Weight |
469.507
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| Canonical SMILES |
CC(C)N1CCN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CC1=O
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| InChI |
InChI=1S/C26H26F3N3O2/c1-14(2)32-8-7-31(13-22(32)33)26(34)17-9-16(10-17)23-20-11-19(28)12-21(29)25(20)30-24(23)15-3-5-18(27)6-4-15/h3-6,11-12,14,16-17,30H,7-10,13H2,1-2H3/t16-,17-
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| InChIKey |
GSFZUONLAYOUHC-QAQDUYKDSA-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