General Information of the Compound
| Compound ID |
CP0969245
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(3-methyl-2-oxo-pyrrolidin-3-yl)urea
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| Formula |
C25H25F3N4O2
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| Molecular Weight |
470.495
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| Canonical SMILES |
CC1(NC(=O)NC[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)CCNC1=O
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| InChI |
InChI=1S/C25H25F3N4O2/c1-25(6-7-29-23(25)33)32-24(34)30-12-13-8-15(9-13)20-18-10-17(27)11-19(28)22(18)31-21(20)14-2-4-16(26)5-3-14/h2-5,10-11,13,15,31H,6-9,12H2,1H3,(H,29,33)(H2,30,32,34)/t13-,15-,25?
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| InChIKey |
GTEZHYRBTHNAGZ-CTOMXGRGSA-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