General Information of the Compound
| Compound ID |
CP0951076
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]cyclobutanecarboxamide
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| Formula |
C24H23F3N2O3
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| Molecular Weight |
444.453
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| Canonical SMILES |
O=C(N[C@H]1CC[C@@H](CO)O1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H23F3N2O3/c25-15-3-1-12(2-4-15)22-21(18-9-16(26)10-19(27)23(18)29-22)13-7-14(8-13)24(31)28-20-6-5-17(11-30)32-20/h1-4,9-10,13-14,17,20,29-30H,5-8,11H2,(H,28,31)/t13-,14-,17-,20+/m0/s1
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| InChIKey |
JYFFFLDLMAQJIH-FGTCXIJOSA-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