General Information of the Compound
| Compound ID |
CP0953167
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)propyl]cyclobutanecarboxamide
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| Formula |
C23H23F3N2O3
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| Molecular Weight |
432.442
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| Canonical SMILES |
C[C@@H](O)[C@H](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/C23H23F3N2O3/c1-11(30)19(10-29)27-23(31)14-6-13(7-14)20-17-8-16(25)9-18(26)22(17)28-21(20)12-2-4-15(24)5-3-12/h2-5,8-9,11,13-14,19,28-30H,6-7,10H2,1H3,(H,27,31)/t11-,13-,14-,19+/m1/s1
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| InChIKey |
YDFHFXHZQDIBDG-AEBDBPTPSA-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