General Information of the Compound
| Compound ID |
CP0951086
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1S)-2-hydroxy-1-methyl-ethyl]urea
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| Formula |
C23H24F3N3O2
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| Molecular Weight |
431.458
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| Canonical SMILES |
C[C@@H](CO)NC(=O)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C23H24F3N3O2/c1-12(11-30)28-23(31)27-10-13-6-15(7-13)20-18-8-17(25)9-19(26)22(18)29-21(20)14-2-4-16(24)5-3-14/h2-5,8-9,12-13,15,29-30H,6-7,10-11H2,1H3,(H2,27,28,31)/t12-,13-,15-/m0/s1
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| InChIKey |
GTNFGDGTEZWGFY-YDHLFZDLSA-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