General Information of the Compound
| Compound ID |
CP0970127
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]cyclobutanecarboxamide
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| Formula |
C24H21F3N4O
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| Molecular Weight |
438.453
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| Canonical SMILES |
Cn1ccc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)n1
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| InChI |
InChI=1S/C24H21F3N4O/c1-31-7-6-18(30-31)12-28-24(32)15-8-14(9-15)21-19-10-17(26)11-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-7,10-11,14-15,29H,8-9,12H2,1H3,(H,28,32)/t14-,15-
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| InChIKey |
MAPUPXRQFUMGHW-SHTZXODSSA-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