General Information of the Compound
| Compound ID |
CP0965909
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-hydroxy-3-methyl-cyclobutyl)urea
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
CC1(O)CC(NC(=O)NC[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1
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| InChI |
InChI=1S/C25H26F3N3O2/c1-25(33)10-18(11-25)30-24(32)29-12-13-6-15(7-13)21-19-8-17(27)9-20(28)23(19)31-22(21)14-2-4-16(26)5-3-14/h2-5,8-9,13,15,18,31,33H,6-7,10-12H2,1H3,(H2,29,30,32)/t13-,15-,18?,25?
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| InChIKey |
WXZWACFGRYTXIH-NJSBQSLESA-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