General Information of the Compound
| Compound ID |
CP0968810
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]cyclobutanecarboxamide
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| Formula |
C24H24F3N3O2
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| Molecular Weight |
443.469
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| Canonical SMILES |
C[C@@H](NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(=O)N(C)C
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| InChI |
InChI=1S/C24H24F3N3O2/c1-12(24(32)30(2)3)28-23(31)15-8-14(9-15)20-18-10-17(26)11-19(27)22(18)29-21(20)13-4-6-16(25)7-5-13/h4-7,10-12,14-15,29H,8-9H2,1-3H3,(H,28,31)/t12-,14-,15-/m1/s1
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| InChIKey |
FSLBKJAEEOZHQQ-BPLDGKMQSA-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