General Information of the Compound
| Compound ID |
CP0967817
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)prop-2-ynyl]cyclobutanecarboxamidev
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| Formula |
C23H19F3N2O2
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| Molecular Weight |
412.411
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| Canonical SMILES |
C#CC(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C23H19F3N2O2/c1-2-17(11-29)27-23(30)14-7-13(8-14)20-18-9-16(25)10-19(26)22(18)28-21(20)12-3-5-15(24)6-4-12/h1,3-6,9-10,13-14,17,28-29H,7-8,11H2,(H,27,30)/t13-,14-,17?
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| InChIKey |
CBZBFZNBLRDFQG-KDMJMNFUSA-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