General Information of the Compound
| Compound ID |
CP0968737
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| Compound Name |
trans-3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-1-(4-hydroxytetrahydrofuran-3-yl)-1-methyl-urea
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| Formula |
C25H26F3N3O3
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| Molecular Weight |
473.495
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| Canonical SMILES |
CN(C(=O)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C1COCC1O
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| InChI |
InChI=1S/C25H26F3N3O3/c1-31(20-11-34-12-21(20)32)25(33)29-10-13-6-15(7-13)22-18-8-17(27)9-19(28)24(18)30-23(22)14-2-4-16(26)5-3-14/h2-5,8-9,13,15,20-21,30,32H,6-7,10-12H2,1H3,(H,29,33)/t13-,15-,20?,21?
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| InChIKey |
BCCGAZMCXVCEDO-NESVHPRHSA-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