General Information of the Compound
| Compound ID |
CP0968594
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]cyclobutanecarboxamide
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| Formula |
C24H21F5N2O2
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| Molecular Weight |
464.434
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| Canonical SMILES |
O=C(NC1(CO)CC(F)(F)C1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H21F5N2O2/c25-15-3-1-12(2-4-15)20-19(17-7-16(26)8-18(27)21(17)30-20)13-5-14(6-13)22(33)31-23(11-32)9-24(28,29)10-23/h1-4,7-8,13-14,30,32H,5-6,9-11H2,(H,31,33)/t13-,14-
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| InChIKey |
AUQKVGHFPMDHOP-HDJSIYSDSA-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