General Information of the Compound
| Compound ID |
CP0953036
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclobutanecarboxamide
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| Formula |
C25H23F3N4O
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| Molecular Weight |
452.48
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| Canonical SMILES |
CC(NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)c1ccnn1C
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| InChI |
InChI=1S/C25H23F3N4O/c1-13(21-7-8-29-32(21)2)30-25(33)16-9-15(10-16)22-19-11-18(27)12-20(28)24(19)31-23(22)14-3-5-17(26)6-4-14/h3-8,11-13,15-16,31H,9-10H2,1-2H3,(H,30,33)/t13?,15-,16-
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| InChIKey |
BUNPKQRPHKQWQQ-QBIRGWOPSA-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