General Information of the Compound
| Compound ID |
CP0955364
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| Compound Name |
trans-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-[2-hydroxy-1-(hydroxymethyl)ethyl]urea
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| Formula |
C22H22F3N3O3
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| Molecular Weight |
433.43
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| Canonical SMILES |
O=C(NC(CO)CO)N[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C22H22F3N3O3/c23-13-3-1-11(2-4-13)20-19(17-7-14(24)8-18(25)21(17)28-20)12-5-15(6-12)26-22(31)27-16(9-29)10-30/h1-4,7-8,12,15-16,28-30H,5-6,9-10H2,(H2,26,27,31)/t12-,15-
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| InChIKey |
IRZMTIDFCKTCHY-NNUKFRKNSA-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