General Information of the Compound
| Compound ID |
CP0970407
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1R)-1-(hydroxymethyl)-2,2-dimethyl-propyl]urea
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| Formula |
C26H30F3N3O2
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| Molecular Weight |
473.539
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| Canonical SMILES |
CC(C)(C)[C@H](CO)NC(=O)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C26H30F3N3O2/c1-26(2,3)21(13-33)31-25(34)30-12-14-8-16(9-14)22-19-10-18(28)11-20(29)24(19)32-23(22)15-4-6-17(27)7-5-15/h4-7,10-11,14,16,21,32-33H,8-9,12-13H2,1-3H3,(H2,30,31,34)/t14-,16-,21-/m0/s1
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| InChIKey |
KJCQRDLCEMDKNV-HTZUNMPGSA-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