General Information of the Compound
| Compound ID |
CP0969352
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(3-hydroxyoxetan-3-yl)methyl]urea
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| Formula |
C24H24F3N3O3
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| Molecular Weight |
459.468
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| Canonical SMILES |
O=C(NCC1(O)COC1)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H24F3N3O3/c25-16-3-1-14(2-4-16)21-20(18-7-17(26)8-19(27)22(18)30-21)15-5-13(6-15)9-28-23(31)29-10-24(32)11-33-12-24/h1-4,7-8,13,15,30,32H,5-6,9-12H2,(H2,28,29,31)/t13-,15-
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| InChIKey |
GLBCHCQHIYAMJK-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