General Information of the Compound
| Compound ID |
CP0951090
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
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| Formula |
C24H23F3N2O2
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| Molecular Weight |
428.454
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| Canonical SMILES |
O=C(NCC1(O)CCC1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H23F3N2O2/c25-16-4-2-13(3-5-16)21-20(18-10-17(26)11-19(27)22(18)29-21)14-8-15(9-14)23(30)28-12-24(31)6-1-7-24/h2-5,10-11,14-15,29,31H,1,6-9,12H2,(H,28,30)/t14-,15-
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| InChIKey |
GRLKFEKVTQLBCC-SHTZXODSSA-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