General Information of the Compound
| Compound ID |
CP0953029
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)-2-methyl-propyl]cyclobutanecarboxamide
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| Formula |
C24H25F3N2O2
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| Molecular Weight |
430.47
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| Canonical SMILES |
CC(C)C(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/C24H25F3N2O2/c1-12(2)20(11-30)28-24(31)15-7-14(8-15)21-18-9-17(26)10-19(27)23(18)29-22(21)13-3-5-16(25)6-4-13/h3-6,9-10,12,14-15,20,29-30H,7-8,11H2,1-2H3,(H,28,31)/t14-,15-,20?
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| InChIKey |
CFLLDFNJEYEQLV-LEWLWEGZSA-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