General Information of the Compound
| Compound ID |
CP0968811
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| Compound Name |
trans-N-[1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]-3-piperidyl]acetamide
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| Formula |
C26H26F3N3O2
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| Molecular Weight |
469.507
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| Canonical SMILES |
CC(=O)NC1CCCN(C(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1
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| InChI |
InChI=1S/C26H26F3N3O2/c1-14(33)30-20-3-2-8-32(13-20)26(34)17-9-16(10-17)23-21-11-19(28)12-22(29)25(21)31-24(23)15-4-6-18(27)7-5-15/h4-7,11-12,16-17,20,31H,2-3,8-10,13H2,1H3,(H,30,33)/t16-,17-,20?
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| InChIKey |
YDBDPXNEAWHYHM-IWZNKUOBSA-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