General Information of the Compound
| Compound ID |
CP0950729
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2,3-dihydroxypropyl)carbamate
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| Formula |
C22H21F3N2O4
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| Molecular Weight |
434.414
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| Canonical SMILES |
O=C(NCC(O)CO)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C22H21F3N2O4/c23-13-3-1-11(2-4-13)20-19(17-7-14(24)8-18(25)21(17)27-20)12-5-16(6-12)31-22(30)26-9-15(29)10-28/h1-4,7-8,12,15-16,27-29H,5-6,9-10H2,(H,26,30)/t12-,15?,16-
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| InChIKey |
DOIBOGJBSDSIFC-OCMUEFOESA-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