General Information of the Compound
| Compound ID |
CP0953060
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]urea
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| Formula |
C25H24F5N3O2
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| Molecular Weight |
493.476
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| Canonical SMILES |
O=C(NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NC1(CO)CC(F)(F)C1
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| InChI |
InChI=1S/C25H24F5N3O2/c26-16-3-1-14(2-4-16)21-20(18-7-17(27)8-19(28)22(18)32-21)15-5-13(6-15)9-31-23(35)33-24(12-34)10-25(29,30)11-24/h1-4,7-8,13,15,32,34H,5-6,9-12H2,(H2,31,33,35)/t13-,15-
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| InChIKey |
IEPIDBYZIMYLIH-CTYIDZIISA-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