General Information of the Compound
| Compound ID |
CP0966066
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-2-oxo-ethyl]cyclobutanecarboxamide
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| Formula |
C24H24F3N3O3
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| Molecular Weight |
459.468
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| Canonical SMILES |
C[C@H](CO)NC(=O)CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H24F3N3O3/c1-12(11-31)29-20(32)10-28-24(33)15-6-14(7-15)21-18-8-17(26)9-19(27)23(18)30-22(21)13-2-4-16(25)5-3-13/h2-5,8-9,12,14-15,30-31H,6-7,10-11H2,1H3,(H,28,33)(H,29,32)/t12-,14-,15-/m1/s1
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| InChIKey |
KOZXABDZISOERO-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